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

Systemtic Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide CAS Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]-3-piperidin-1-iumyl]-N-cyclopentyl-4-triazolecarboxamide IUPAC Name: 1-[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopentyltriazole-4-carboxamide Traditional Name: 1-[(3S)-1-(4-acetamidobenzyl)piperidin-1-ium-3-yl]-N-cyclopentyl-triazole-4-carboxamide Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)N3C=C(N=N3)C(=O)NC4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)N3C=C(N=N3)C(=O)NC4CCCC4

InChI

InChI=1S/C22H30N6O2/c1-16(29)23-19-10-8-17(9-11-19)13-27-12-4-7-20(14-27)28-15-21(25-26-28)22(30)24-18-5-2-3-6-18/h8-11,15,18,20H,2-7,12-14H2,1H3,(H,23,29)(H,24,30)/p+1/t20-/m0/s1