N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-hydroxyethyl)-N-methyl-triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-N-methyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: 1-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]-N-(2-hydroxyethyl)-N-methyl-triazole-4-carboxamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3OCC=C

Isomeric SMILES

CN(CCO)C(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C21H29N5O3/c1-3-14-29-20-7-5-4-6-17(20)15-25-10-8-18(9-11-25)26-16-19(22-23-26)21(28)24(2)12-13-27/h3-7,16,18,27H,1,8-15H2,2H3/p+1