2-[[(3S)-3-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 2-[[(3S)-3-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 2-[[(3S)-3-[[4-(3-thienyl)triazol-1-yl]methyl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 2-[[(3S)-3-[[4-(3-thiophenyl)-1-triazolyl]methyl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 2-[[(3S)-3-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 2-[[(3S)-3-[[4-(3-thienyl)triazol-1-yl]methyl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)CN3C=C(N=N3)C4=CSC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)CN3C=C(N=N3)C4=CSC=C4

InChI

InChI=1S/C18H21N5S/c1-2-7-19-17(5-1)12-22-8-3-4-15(10-22)11-23-13-18(20-21-23)16-6-9-24-14-16/h1-2,5-7,9,13-15H,3-4,8,10-12H2/p+1/t15-/m0/s1