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

Systemtic Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]propyl-dimethyl-ammonium Formula: C26H36N3O5+ MolecularWeight: 470.58114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC[NH+](C)C)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC[NH+](C)C)OC)OC)OC

InChI

InChI=1S/C26H35N3O5/c1-16(30)28-20-10-8-17-14-23(32-4)25(33-5)26(34-6)24(17)18-9-11-21(22(31)15-19(18)20)27-12-7-13-29(2)3/h9,11,14-15,20H,7-8,10,12-13H2,1-6H3,(H,27,31)(H,28,30)/p+1/t20-/m0/s1