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

Systemtic Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]ethyl-dimethyl-ammonium Formula: C25H34N3O5+ MolecularWeight: 456.55456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5/c1-15(29)27-19-9-7-16-13-22(31-4)24(32-5)25(33-6)23(16)17-8-10-20(21(30)14-18(17)19)26-11-12-28(2)3/h8,10,13-14,19H,7,9,11-12H2,1-6H3,(H,26,30)(H,27,29)/p+1/t19-/m0/s1