N-cyclopentyl-1-[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: 1-[(3S)-1-(2-allyloxybenzyl)piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NC4CCCC4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NC4CCCC4

InChI

InChI=1S/C23H31N5O2/c1-2-14-30-22-12-6-3-8-18(22)15-27-13-7-11-20(16-27)28-17-21(25-26-28)23(29)24-19-9-4-5-10-19/h2-3,6,8,12,17,19-20H,1,4-5,7,9-11,13-16H2,(H,24,29)/p+1/t20-/m0/s1