N-cyclopentyl-1-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NC4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NC4CCCC4

InChI

InChI=1S/C21H29N5OS/c1-28-19-10-8-16(9-11-19)13-25-12-4-7-18(14-25)26-15-20(23-24-26)21(27)22-17-5-2-3-6-17/h8-11,15,17-18H,2-7,12-14H2,1H3,(H,22,27)/p+1/t18-/m0/s1