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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H22N4OS/c1-14-3-5-17(6-4-14)23-9-8-22(12-15(23)2)13-18(24)21-19-16(11-20)7-10-25-19/h3-7,10,15H,8-9,12-13H2,1-2H3,(H,21,24)/p+1/t15-/m0/s1