1-(2,3-dimethylphenyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)C)C

InChI

InChI=1S/C21H28N2O/c1-16-6-5-7-20(18(16)3)23-12-10-22(11-13-23)15-19-8-9-21(24-4)17(2)14-19/h5-9,14H,10-13,15H2,1-4H3/p+1