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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

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