5-bromanyl-3-(4-methoxyphenyl)imino-1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]indol-2-one

Systemtic Name: 5-bromanyl-3-(4-methoxyphenyl)imino-1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-bromo-3-(4-methoxyphenyl)imino-indolin-2-one CAS Name: 5-bromo-3-(4-methoxyphenyl)imino-1-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-bromo-3-(4-methoxyphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-bromo-3-(4-methoxyphenyl)imino-oxindole Formula: C27H29BrN4O2+2 MolecularWeight: 521.44876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27BrN4O2/c1-34-23-10-8-22(9-11-23)29-26-24-17-21(28)7-12-25(24)32(27(26)33)19-31-15-13-30(14-16-31)18-20-5-3-2-4-6-20/h2-12,17H,13-16,18-19H2,1H3/p+2