1-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethylphenyl)imino-indol-2-one

Systemtic Name: 1-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethylphenyl)imino-indol-2-one Openeye Name: 1-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethylphenyl)imino-indolin-2-one CAS Name: 1-(1-azepan-1-iumylmethyl)-3-(3,4-dimethylphenyl)imino-2-indolone IUPAC Name: 1-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethylphenyl)iminoindol-2-one Traditional Name: 1-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethylphenyl)imino-oxindole Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4)C

InChI

InChI=1S/C23H27N3O/c1-17-11-12-19(15-18(17)2)24-22-20-9-5-6-10-21(20)26(23(22)27)16-25-13-7-3-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3/p+1