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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NC4CCCC4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NC4CCCC4)O

InChI

InChI=1S/C22H31N5O3/c1-2-30-21-12-16(9-10-20(21)28)13-26-11-5-8-18(14-26)27-15-19(24-25-27)22(29)23-17-6-3-4-7-17/h9-10,12,15,17-18,28H,2-8,11,13-14H2,1H3,(H,23,29)/p+1/t18-/m0/s1