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

Systemtic Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide CAS Name: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: 1-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C

InChI

InChI=1S/C21H31N5O2/c1-4-28-19-7-5-17(6-8-19)14-25-11-9-18(10-12-25)26-15-20(23-24-26)21(27)22-13-16(2)3/h5-8,15-16,18H,4,9-14H2,1-3H3,(H,22,27)/p+1