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

Systemtic Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxidanylidene-10-piperidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Openeye Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-(1-piperidyl)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium CAS Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-(1-piperidinyl)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ammonium IUPAC Name: methyl-[(7S)-1,2,3-trimethoxy-9-oxo-10-piperidin-1-yl-6,7-dihydro-5H-benzo[a]heptalen-7-yl]azanium Traditional Name: [(7S)-9-keto-1,2,3-trimethoxy-10-piperidino-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-methyl-ammonium Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCCCC4)OC)OC)OC

Isomeric SMILES

C[NH2+][C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N4CCCCC4)OC)OC)OC

InChI

InChI=1S/C25H32N2O4/c1-26-19-10-8-16-14-22(29-2)24(30-3)25(31-4)23(16)17-9-11-20(21(28)15-18(17)19)27-12-6-5-7-13-27/h9,11,14-15,19,26H,5-8,10,12-13H2,1-4H3/p+1/t19-/m0/s1