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

Systemtic Name: N-[3-[(4-nitrophenyl)amino]propyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[3-(4-nitroanilino)propyl]acetamide CAS Name: N-[3-(4-nitroanilino)propyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[3-(4-nitroanilino)propyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[3-(4-nitroanilino)propyl]acetamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O3/c28-22(24-12-4-11-23-20-7-9-21(10-8-20)27(29)30)18-26-15-13-25(14-16-26)17-19-5-2-1-3-6-19/h1-3,5-10,23H,4,11-18H2,(H,24,28)/p+1