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

Systemtic Name: 1-[(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-N,N-diethyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-N,N-diethyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-3-yl]-N,N-diethyl-triazole-4-carboxamide Formula: C21H32N5O3+ MolecularWeight: 402.51048

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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)O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c1-4-25(5-2)21(28)18-15-26(23-22-18)17-8-7-11-24(14-17)13-16-9-10-19(27)20(12-16)29-6-3/h9-10,12,15,17,27H,4-8,11,13-14H2,1-3H3/p+1/t17-/m0/s1