4-[(5-chloranylthiophen-2-yl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(4-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(4-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H20ClN3O2S/c1-23-14-4-2-13(3-5-14)19-17(22)21-10-8-20(9-11-21)12-15-6-7-16(18)24-15/h2-7H,8-12H2,1H3,(H,19,22)/p+1