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

Systemtic Name: 1-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC(C)C)O

InChI

InChI=1S/C20H29N5O3/c1-4-28-19-11-15(5-6-18(19)26)12-24-9-7-16(8-10-24)25-13-17(22-23-25)20(27)21-14(2)3/h5-6,11,13-14,16,26H,4,7-10,12H2,1-3H3,(H,21,27)/p+1