N-(1-ethylpiperidin-1-ium-4-yl)-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN(C(=N2)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NN(C(=N2)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H29N5OS/c1-4-24-12-10-16(11-13-24)21-18(26)14-27-20-22-19(15(2)3)25(23-20)17-8-6-5-7-9-17/h5-9,15-16H,4,10-14H2,1-3H3,(H,21,26)/p+1