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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c18-16-12-15(6-7-17(16)21(22)23)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,18H2/p+1