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

Systemtic Name: N-cyclopentyl-1-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-(1-vanillylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CCCC4)O

InChI

InChI=1S/C21H29N5O3/c1-29-20-12-15(6-7-19(20)27)13-25-10-8-17(9-11-25)26-14-18(23-24-26)21(28)22-16-4-2-3-5-16/h6-7,12,14,16-17,27H,2-5,8-11,13H2,1H3,(H,22,28)/p+1