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

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(2-ethoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(2-ethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2-ethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(2-ethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-o-phenetyl-piperazin-4-ium-1-carboxamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O3/c1-3-28-20-7-5-4-6-18(20)23-21(26)25-12-10-24(11-13-25)15-16-14-17(22)8-9-19(16)27-2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)/p+1