1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium

Systemtic Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium Openeye Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[[4-(3-thienyl)triazol-1-yl]methyl]piperidin-1-ium CAS Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[[4-(3-thiophenyl)-1-triazolyl]methyl]piperidin-1-ium IUPAC Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[(4-thiophen-3-yltriazol-1-yl)methyl]piperidin-1-ium Traditional Name: 1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-[[4-(3-thienyl)triazol-1-yl]methyl]piperidin-1-ium Formula: C17H23N6S+ MolecularWeight: 343.46972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCC(CC2)CN3C=C(N=N3)C4=CSC=C4

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCC(CC2)CN3C=C(N=N3)C4=CSC=C4

InChI

InChI=1S/C17H22N6S/c1-13-8-16(19-18-13)10-22-5-2-14(3-6-22)9-23-11-17(20-21-23)15-4-7-24-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10H2,1H3,(H,18,19)/p+1