N-[2-[4-(3-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-butylphenyl)ethanediamide

Systemtic Name: N-[2-[4-(3-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-butylphenyl)ethanediamide Openeye Name: N-[2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-butylphenyl)oxamide CAS Name: N-[2-[4-[(3-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-(4-butylphenyl)oxamide IUPAC Name: N-[2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-butylphenyl)oxamide Traditional Name: N-[2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-butylphenyl)oxamide Formula: C25H32BrN4O3+ MolecularWeight: 516.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C25H31BrN4O3/c1-2-3-5-19-8-10-22(11-9-19)28-24(32)23(31)27-12-13-29-14-16-30(17-15-29)25(33)20-6-4-7-21(26)18-20/h4,6-11,18H,2-3,5,12-17H2,1H3,(H,27,31)(H,28,32)/p+1