1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-oxidanidyl-3-phenyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-oxidanidyl-3-phenyl-quinoxalin-4-ium-2-one Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-4-oxido-3-phenyl-quinoxalin-4-ium-2-one CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-4-oxido-3-phenyl-2-quinoxalin-4-iumone IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-4-oxido-3-phenylquinoxalin-4-ium-2-one Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-4-oxido-3-phenyl-quinoxalin-4-ium-2-one Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H23N3O3/c26-20(23-14-8-1-2-9-15-23)16-24-18-12-6-7-13-19(18)25(28)21(22(24)27)17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2