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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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