2-nitro-N-(phenylmethyl)-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: 2-nitro-N-(phenylmethyl)-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-benzyl-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: 2-nitro-N-(phenylmethyl)-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-benzyl-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: benzyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c22-21(23)17-7-6-15(20-10-8-18-9-11-20)12-16(17)19-13-14-4-2-1-3-5-14/h1-7,12,18-19H,8-11,13H2/p+1