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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-(o-tolylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(2-methylbenzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-16-7-2-3-8-17(16)13-25-12-6-11-19(14-25)26-15-20(23-24-26)21(27)22-18-9-4-5-10-18/h2-3,7-8,15,18-19H,4-6,9-14H2,1H3,(H,22,27)/p+1/t19-/m0/s1