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

Systemtic Name: N-cyclopropyl-1-[1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(2,4-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-(2,4-dimethylbenzyl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4)C

InChI

InChI=1S/C20H27N5O/c1-14-3-4-16(15(2)11-14)12-24-9-7-18(8-10-24)25-13-19(22-23-25)20(26)21-17-5-6-17/h3-4,11,13,17-18H,5-10,12H2,1-2H3,(H,21,26)/p+1