2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(4-dimethylaminophenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[4-(dimethylamino)benzyl]-N-methyl-acetamide Formula: C22H30ClN4O+ MolecularWeight: 401.9528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H29ClN4O/c1-24(2)20-9-7-18(8-10-20)16-25(3)22(28)17-26-11-13-27(14-12-26)21-6-4-5-19(23)15-21/h4-10,15H,11-14,16-17H2,1-3H3/p+1