N-[(7S)-1,2,3-trimethoxy-10-(3-morpholin-4-ium-4-ylpropylamino)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide

Systemtic Name: N-[(7S)-1,2,3-trimethoxy-10-(3-morpholin-4-ium-4-ylpropylamino)-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide Openeye Name: N-[(7S)-1,2,3-trimethoxy-10-(3-morpholin-4-ium-4-ylpropylamino)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: N-[(7S)-1,2,3-trimethoxy-10-[3-(4-morpholin-4-iumyl)propylamino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide IUPAC Name: N-[(7S)-1,2,3-trimethoxy-10-(3-morpholin-4-ium-4-ylpropylamino)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Traditional Name: N-[(7S)-9-keto-1,2,3-trimethoxy-10-(3-morpholin-4-ium-4-ylpropylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C28H38N3O6+ MolecularWeight: 512.61782

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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+]4CCOCC4)OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC[NH+]4CCOCC4)OC)OC)OC

InChI

InChI=1S/C28H37N3O6/c1-18(32)30-22-8-6-19-16-25(34-2)27(35-3)28(36-4)26(19)20-7-9-23(24(33)17-21(20)22)29-10-5-11-31-12-14-37-15-13-31/h7,9,16-17,22H,5-6,8,10-15H2,1-4H3,(H,29,33)(H,30,32)/p+1/t22-/m0/s1