methyl-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-10-pyrrolidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium

Systemtic Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-10-pyrrolidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Openeye Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-pyrrolidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium CAS Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-(1-pyrrolidinyl)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium IUPAC Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-pyrrolidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Traditional Name: [(7S)-9-keto-1,2,3-trimethoxy-10-pyrrolidino-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-ammonium Formula: C24H31N2O4+ MolecularWeight: 411.51394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCCC4)OC)OC)OC

Isomeric SMILES

C[NH2+][C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCCC4)OC)OC)OC

InChI

InChI=1S/C24H30N2O4/c1-25-18-9-7-15-13-21(28-2)23(29-3)24(30-4)22(15)16-8-10-19(20(27)14-17(16)18)26-11-5-6-12-26/h8,10,13-14,18,25H,5-7,9,11-12H2,1-4H3/p+1/t18-/m0/s1