1-(3-chlorophenyl)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(2,4-dimethoxy-3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(2,4-dimethoxy-3-methyl-benzyl)piperazin-4-ium Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H25ClN2O2/c1-15-19(24-2)8-7-16(20(15)25-3)14-22-9-11-23(12-10-22)18-6-4-5-17(21)13-18/h4-8,13H,9-12,14H2,1-3H3/p+1