2-(2-nitrophenyl)-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]ethanamide

Systemtic Name: 2-(2-nitrophenyl)-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]ethanamide Openeye Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-(2-nitrophenyl)acetamide CAS Name: 2-(2-nitrophenyl)-N-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]acetamide IUPAC Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-(2-nitrophenyl)acetamide Traditional Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-2-(2-nitrophenyl)acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c27-22(17-20-9-4-5-10-21(20)26(28)29)23-11-6-12-24-13-15-25(16-14-24)18-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,23,27)/p+1