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

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propionamide Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C18H21N5OS/c19-13-15-5-12-25-18(15)21-17(24)4-7-22-8-10-23(11-9-22)14-16-3-1-2-6-20-16/h1-3,5-6,12H,4,7-11,14H2,(H,21,24)/p+1