1-(3-chlorophenyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium Formula: C19H24ClN2O+ MolecularWeight: 331.85966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C19H23ClN2O/c1-15-12-16(6-7-19(15)23-2)14-21-8-10-22(11-9-21)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11,14H2,1-2H3/p+1