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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-[(2,4-dimethylphenyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(2,4-dimethylbenzyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NC4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NC4CCCC4)C

InChI

InChI=1S/C22H31N5O/c1-16-9-10-18(17(2)12-16)13-26-11-5-8-20(14-26)27-15-21(24-25-27)22(28)23-19-6-3-4-7-19/h9-10,12,15,19-20H,3-8,11,13-14H2,1-2H3,(H,23,28)/p+1/t20-/m0/s1