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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(4-methoxy-2,3-dimethyl-benzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C23H34N5O2+ MolecularWeight: 412.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NC4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NC4CCCC4

InChI

InChI=1S/C23H33N5O2/c1-16-17(2)22(30-3)11-10-18(16)13-27-12-6-9-20(14-27)28-15-21(25-26-28)23(29)24-19-7-4-5-8-19/h10-11,15,19-20H,4-9,12-14H2,1-3H3,(H,24,29)/p+1/t20-/m0/s1