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

Systemtic Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-butylphenyl)-N-[2-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-butylphenyl)-N-[2-[4-(4-nitrobenzoyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C25H32N5O5+ MolecularWeight: 482.55208

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O5/c1-2-3-4-19-5-9-21(10-6-19)27-24(32)23(31)26-13-14-28-15-17-29(18-16-28)25(33)20-7-11-22(12-8-20)30(34)35/h5-12H,2-4,13-18H2,1H3,(H,26,31)(H,27,32)/p+1