N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C4=CC=CS4

InChI

InChI=1S/C22H27N5OS/c1-17-8-10-26(11-9-17)20(21-3-2-12-29-21)13-24-22(28)19-6-4-18(5-7-19)14-27-16-23-15-25-27/h2-7,12,15-17,20H,8-11,13-14H2,1H3,(H,24,28)/p+1/t20-/m1/s1