N-[(4-chlorophenyl)methyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-[(4-chlorophenyl)methyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-[(4-chlorophenyl)methyl]-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-[(4-chlorophenyl)methyl]-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: (4-chlorobenzyl)-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2/c18-14-3-1-13(2-4-14)12-20-16-11-15(5-6-17(16)22(23)24)21-9-7-19-8-10-21/h1-6,11,19-20H,7-10,12H2/p+1