1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-(3-bromanyl-4-methyl-phenyl)imino-indol-2-one

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-(3-bromanyl-4-methyl-phenyl)imino-indol-2-one Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-(3-bromo-4-methyl-phenyl)imino-indolin-2-one CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-(3-bromo-4-methylphenyl)imino-2-indolone IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-3-(3-bromo-4-methylphenyl)iminoindol-2-one Traditional Name: 3-(3-bromo-4-methyl-phenyl)imino-1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]oxindole Formula: C28H29BrN4O3+2 MolecularWeight: 549.45886

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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+]4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)Br

InChI

InChI=1S/C28H27BrN4O3/c1-19-6-8-21(15-23(19)29)30-27-22-4-2-3-5-24(22)33(28(27)34)17-32-12-10-31(11-13-32)16-20-7-9-25-26(14-20)36-18-35-25/h2-9,14-15H,10-13,16-18H2,1H3/p+2