N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-phenyl-ethanamide

Systemtic Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-phenyl-ethanamide Openeye Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-2-phenyl-acetamide CAS Name: N-[(Z)-[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-2-phenylacetamide IUPAC Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-phenylacetamide Traditional Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-2-phenyl-acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)CC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=CC=CC=C3/C(=N/NC(=O)CC4=CC=CC=C4)/C2=O

InChI

InChI=1S/C23H26N4O2/c28-21(16-18-10-4-3-5-11-18)24-25-22-19-12-6-7-13-20(19)27(23(22)29)17-26-14-8-1-2-9-15-26/h3-7,10-13H,1-2,8-9,14-17H2,(H,24,28)/p+1/b25-22-