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

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

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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)NCC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c1-4-29-20-11-16(5-6-19(20)27)13-25-9-7-17(8-10-25)26-14-18(23-24-26)21(28)22-12-15(2)3/h5-6,11,14-15,17,27H,4,7-10,12-13H2,1-3H3,(H,22,28)/p+1