1-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[1-[(4-methoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: 1-[1-[(4-methoxy-3-methylphenyl)methyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[1-(4-methoxy-3-methyl-benzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC(C)C)OC

InChI

InChI=1S/C20H29N5O2/c1-14(2)21-20(26)18-13-25(23-22-18)17-7-9-24(10-8-17)12-16-5-6-19(27-4)15(3)11-16/h5-6,11,13-14,17H,7-10,12H2,1-4H3,(H,21,26)/p+1