1-(3-chlorophenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C17H19ClN3O2+ MolecularWeight: 332.80466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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