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

Systemtic Name: 2-methyl-5-[[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-methyl-5-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]thiazole CAS Name: 2-methyl-5-[[4-[4-(3-thiophenyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 2-methyl-5-[[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-methyl-5-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]thiazole Formula: C16H20N5S2+ MolecularWeight: 346.4935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4=CSC=C4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4=CSC=C4

InChI

InChI=1S/C16H19N5S2/c1-12-17-8-15(23-12)9-20-5-2-14(3-6-20)21-10-16(18-19-21)13-4-7-22-11-13/h4,7-8,10-11,14H,2-3,5-6,9H2,1H3/p+1