N-(3-cyanothiophen-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H22N4O2S/c1-25-17-4-2-16(3-5-17)23-11-9-22(10-12-23)8-6-18(24)21-19-15(14-20)7-13-26-19/h2-5,7,13H,6,8-12H2,1H3,(H,21,24)/p+1