1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(4-chloranyl-3-nitro-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(4-chloro-3-nitro-phenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(4-chloro-3-nitrophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-(4-chloro-3-nitro-benzyl)-4-(o-tolyl)piperazin-1-ium Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O2/c1-14-4-2-3-5-17(14)21-10-8-20(9-11-21)13-15-6-7-16(19)18(12-15)22(23)24/h2-7,12H,8-11,13H2,1H3/p+1