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

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Openeye Name: 3-(4-bromo-3-methyl-phenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-2-one CAS Name: 3-(4-bromo-3-methylphenyl)imino-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-indolone IUPAC Name: 3-(4-bromo-3-methylphenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Traditional Name: 3-(4-bromo-3-methyl-phenyl)imino-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]oxindole Formula: C26H26BrN4O+ MolecularWeight: 490.41484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN4O/c1-19-17-20(11-12-23(19)27)28-25-22-9-5-6-10-24(22)31(26(25)32)18-29-13-15-30(16-14-29)21-7-3-2-4-8-21/h2-12,17H,13-16,18H2,1H3/p+1