N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C20H25N6OS+ MolecularWeight: 397.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6OS/c1-15-18(24-26(23-15)17-9-5-4-6-10-17)19(27)22-20-21-16(14-28-20)13-25-11-7-2-3-8-12-25/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,21,22,27)/p+1