3-(3,4-dimethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one

Systemtic Name: 3-(3,4-dimethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Openeye Name: 3-(3,4-dimethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-2-one CAS Name: 3-(3,4-dimethylphenyl)imino-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-indolone IUPAC Name: 3-(3,4-dimethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Traditional Name: 3-(3,4-dimethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]oxindole Formula: C27H29N4O+ MolecularWeight: 425.54536

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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+]4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H28N4O/c1-20-12-13-22(18-21(20)2)28-26-24-10-6-7-11-25(24)31(27(26)32)19-29-14-16-30(17-15-29)23-8-4-3-5-9-23/h3-13,18H,14-17,19H2,1-2H3/p+1