1-(4-chloranyl-2-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-chloro-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-(4-chloro-2-nitrophenyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-chloro-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(4-chloro-2-nitro-phenyl)piperazin-1-ium Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2/c18-15-6-7-16(17(12-15)21(22)23)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1