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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H31N5O2/c1-4-25(5-2)21(27)20-16-26(23-22-20)18-8-7-13-24(15-18)14-17-9-11-19(12-10-17)28-6-3/h9-12,16,18H,4-8,13-15H2,1-3H3/p+1/t18-/m0/s1