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

Systemtic Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methoxyethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methoxyethyl)triazole-4-carboxamide CAS Name: 1-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methoxyethyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methoxyethyl)triazole-4-carboxamide Traditional Name: 1-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)triazole-4-carboxamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCOC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCOC

InChI

InChI=1S/C20H29N5O3/c1-3-28-19-7-5-4-6-16(19)14-24-11-8-17(9-12-24)25-15-18(22-23-25)20(26)21-10-13-27-2/h4-7,15,17H,3,8-14H2,1-2H3,(H,21,26)/p+1