4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3,5-dimethylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(3,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2/c1-15-10-16(2)12-19(11-15)23-21(26)25-8-6-24(7-9-25)14-17-13-18(22)4-5-20(17)27-3/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,26)/p+1