(3S)-N-methyl-1-(3-pyrazol-1-ylpropyl)-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-1-(3-pyrazol-1-ylpropyl)-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-1-(3-pyrazol-1-ylpropyl)-N-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-1-[3-(1-pyrazolyl)propyl]-N-[2-(2-pyridinyl)ethyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-1-(3-pyrazol-1-ylpropyl)-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Traditional Name: methyl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]-[2-(2-pyridyl)ethyl]amine Formula: C19H30N5+ MolecularWeight: 328.475

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

CN(CCC1=CC=CC=N1)[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C19H29N5/c1-22(16-9-18-7-2-3-10-20-18)19-8-4-12-23(17-19)13-6-15-24-14-5-11-21-24/h2-3,5,7,10-11,14,19H,4,6,8-9,12-13,15-17H2,1H3/p+1/t19-/m0/s1