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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O3/c1-3-31-22-13-17(10-11-21(22)30-2)14-27-12-6-9-19(15-27)28-16-20(25-26-28)23(29)24-18-7-4-5-8-18/h10-11,13,16,18-19H,3-9,12,14-15H2,1-2H3,(H,24,29)/p+1/t19-/m0/s1