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

Systemtic Name: 1-[(3S)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-3-yl]-N-isopropyl-triazole-4-carboxamide Formula: C19H28N5O3+ MolecularWeight: 374.45732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O3/c1-13(2)20-19(26)16-12-24(22-21-16)15-7-5-9-23(11-15)10-14-6-4-8-17(27-3)18(14)25/h4,6,8,12-13,15,25H,5,7,9-11H2,1-3H3,(H,20,26)/p+1/t15-/m0/s1