[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone Formula: C20H24ClN2O+ MolecularWeight: 343.87036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O/c1-15-6-7-18(12-16(15)2)20(24)23-10-8-22(9-11-23)14-17-4-3-5-19(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3/p+1