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

Systemtic Name: 6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]hexylazanium Openeye Name: 6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]hexylammonium CAS Name: 6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]hexylammonium IUPAC Name: 6-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]hexylazanium Traditional Name: 6-[[(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]hexylammonium Formula: C27H38N3O5+ MolecularWeight: 484.60772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCCCC[NH3+])OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCCCC[NH3+])OC)OC)OC

InChI

InChI=1S/C27H37N3O5/c1-17(31)30-21-11-9-18-15-24(33-2)26(34-3)27(35-4)25(18)19-10-12-22(23(32)16-20(19)21)29-14-8-6-5-7-13-28/h10,12,15-16,21H,5-9,11,13-14,28H2,1-4H3,(H,29,32)(H,30,31)/p+1/t21-/m0/s1