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

Systemtic Name: 3-(4-ethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Openeye Name: 3-(4-ethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-2-one CAS Name: 3-(4-ethylphenyl)imino-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-indolone IUPAC Name: 3-(4-ethylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Traditional Name: 3-(4-ethylphenyl)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:

CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

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