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

Systemtic Name: N-cyclopropyl-1-[1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-(2,4-dimethoxy-3-methyl-benzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4)OC

InChI

InChI=1S/C21H29N5O3/c1-14-19(28-2)7-4-15(20(14)29-3)12-25-10-8-17(9-11-25)26-13-18(23-24-26)21(27)22-16-5-6-16/h4,7,13,16-17H,5-6,8-12H2,1-3H3,(H,22,27)/p+1