2-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-phenethyl-benzamide Formula: C27H30N5O4+ MolecularWeight: 488.5582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O4/c33-26(20-30-16-18-31(19-17-30)24-12-6-7-13-25(24)32(35)36)29-23-11-5-4-10-22(23)27(34)28-15-14-21-8-2-1-3-9-21/h1-13H,14-20H2,(H,28,34)(H,29,33)/p+1