1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(2-chloro-5-nitro-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(2-chloro-5-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-(2-chloro-5-nitro-benzyl)piperazin-4-ium Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O2/c19-18-7-6-17(22(23)24)12-16(18)14-21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+1