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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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