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

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-(2-chloro-5-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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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