2-[(4S)-5-oxidanylidene-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-3-ium-4-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[(4S)-5-oxidanylidene-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-3-ium-4-yl]-N-phenyl-ethanamide Openeye Name: 2-[(4S)-5-oxo-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-3-ium-4-yl]-N-phenyl-acetamide CAS Name: 2-[(4S)-5-oxo-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-3-ium-4-yl]-N-phenylacetamide IUPAC Name: 2-[(4S)-5-oxo-2,3,4,6-tetrahydro-1H-azepino[4,5-b]indol-3-ium-4-yl]-N-phenylacetamide Traditional Name: 2-[(4S)-5-keto-2,3,4,6-tetrahydro-1H-azepin[4,5-b]indol-3-ium-4-yl]-N-phenyl-acetamide Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C(=O)C2=C1C3=CC=CC=C3N2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH2+][C@H](C(=O)C2=C1C3=CC=CC=C3N2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2/c24-18(22-13-6-2-1-3-7-13)12-17-20(25)19-15(10-11-21-17)14-8-4-5-9-16(14)23-19/h1-9,17,21,23H,10-12H2,(H,22,24)/p+1/t17-/m0/s1