(11R,13S)-11-(4-dimethylaminophenyl)-13-methyl-1'-oxidanidyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-3,4-dihydropyrrol-1-ium]-3-one

Systemtic Name: (11R,13S)-11-(4-dimethylaminophenyl)-13-methyl-1'-oxidanidyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-3,4-dihydropyrrol-1-ium]-3-one Openeye Name: (11R,13S)-11-(4-dimethylaminophenyl)-13-methyl-1'-oxido-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-3,4-dihydropyrrol-1-ium]-3-one CAS Name: (11R,13S)-11-(4-dimethylaminophenyl)-13-methyl-1'-oxido-3-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-3,4-dihydropyrrol-1-ium]one IUPAC Name: (11R,13S)-11-(4-dimethylaminophenyl)-13-methyl-1'-oxidospiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-3,4-dihydropyrrol-1-ium]-3-one Traditional Name: (11R,13S)-11-(4-dimethylaminophenyl)-13-methyl-1'-oxido-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-1-pyrrolin-1-ium]-3-one Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC25CCC=[N+]5[O-])C6=CC=C(C=C6)N(C)C

Isomeric SMILES

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CCC25CCC=[N+]5[O-])C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C29H36N2O2/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28)14-4-16-31(29)33/h5-6,8-9,16-17,24-26H,4,7,10-15,18H2,1-3H3/t24?,25-,26?,28+,29?/m1/s1