N-propyl-4-[4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,3-triazol-1-yl]piperidine-1-carboxamide

Systemtic Name: N-propyl-4-[4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,3-triazol-1-yl]piperidine-1-carboxamide Openeye Name: N-propyl-4-[4-[[(2S)-2-(2-pyridyl)pyrrolidin-1-ium-1-yl]methyl]triazol-1-yl]piperidine-1-carboxamide CAS Name: N-propyl-4-[4-[[(2S)-2-(2-pyridinyl)-1-pyrrolidin-1-iumyl]methyl]-1-triazolyl]-1-piperidinecarboxamide IUPAC Name: N-propyl-4-[4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-ium-1-yl]methyl]triazol-1-yl]piperidine-1-carboxamide Traditional Name: N-propyl-4-[4-[[(2S)-2-(2-pyridyl)pyrrolidin-1-ium-1-yl]methyl]triazol-1-yl]piperidine-1-carboxamide Formula: C21H32N7O+ MolecularWeight: 398.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCC(CC1)N2C=C(N=N2)C[NH+]3CCCC3C4=CC=CC=N4

Isomeric SMILES

CCCNC(=O)N1CCC(CC1)N2C=C(N=N2)C[NH+]3CCC[C@H]3C4=CC=CC=N4

InChI

InChI=1S/C21H31N7O/c1-2-10-23-21(29)26-13-8-18(9-14-26)28-16-17(24-25-28)15-27-12-5-7-20(27)19-6-3-4-11-22-19/h3-4,6,11,16,18,20H,2,5,7-10,12-15H2,1H3,(H,23,29)/p+1/t20-/m0/s1