1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(4-methoxy-2,5-dimethyl-benzyl)piperazin-4-ium Formula: C20H26ClN2O+ MolecularWeight: 345.88624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C)OC

InChI

InChI=1S/C20H25ClN2O/c1-15-12-20(24-3)16(2)11-17(15)14-22-7-9-23(10-8-22)19-6-4-5-18(21)13-19/h4-6,11-13H,7-10,14H2,1-3H3/p+1