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

Systemtic Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-4-27-19-8-6-5-7-16(19)13-24-11-9-17(10-12-24)25-14-18(22-23-25)20(26)21-15(2)3/h5-8,14-15,17H,4,9-13H2,1-3H3,(H,21,26)/p+1