N,N-diethyl-1-[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3/c1-4-24(5-2)20(27)18-14-25(22-21-18)16-7-6-10-23(13-16)12-15-11-17(28-3)8-9-19(15)26/h8-9,11,14,16,26H,4-7,10,12-13H2,1-3H3/p+1/t16-/m0/s1