N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-2-[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-2-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H35N6OS+ MolecularWeight: 491.6714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C27H34N6OS/c1-21-18-23(32-16-8-9-17-32)12-13-24(21)28-26(34)20-35-27-30-29-25(19-31-14-6-3-7-15-31)33(27)22-10-4-2-5-11-22/h2,4-5,10-13,18H,3,6-9,14-17,19-20H2,1H3,(H,28,34)/p+1