1-(11-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthren-15-yl)-3-methyl-imidazol-3-ium iodide

Systemtic Name: 1-(11-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthren-15-yl)-3-methyl-imidazol-3-ium iodide Openeye Name: 1-(11-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthren-15-yl)-3-methyl-imidazol-3-ium iodide CAS Name: 1-(11-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthren-15-yl)-3-methylimidazol-3-ium iodide IUPAC Name: 1-(11-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthren-15-yl)-3-methylimidazol-3-ium iodide Traditional Name: 1-(11-methoxy-16,17-dihydro-15H-cyclopenta[a]phenanthren-15-yl)-3-methyl-imidazol-3-ium iodide Formula: C22H21IN2O MolecularWeight: 456.31941

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2CCC3=CC(=C4C(=C23)C=CC5=CC=CC=C54)OC.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2CCC3=CC(=C4C(=C23)C=CC5=CC=CC=C54)OC.[I-]

InChI

InChI=1S/C22H21N2O.HI/c1-23-11-12-24(14-23)19-10-8-16-13-20(25-2)22-17-6-4-3-5-15(17)7-9-18(22)21(16)19;/h3-7,9,11-14,19H,8,10H2,1-2H3;1H/q+1;/p-1