(3S)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[[3-(1-pyrazolyl)phenyl]methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (3-pyrazol-1-ylbenzyl)-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NCC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NCC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H25N5/c1-2-10-22-19(7-1)16-25-12-4-8-20(17-25)23-15-18-6-3-9-21(14-18)26-13-5-11-24-26/h1-3,5-7,9-11,13-14,20,23H,4,8,12,15-17H2/p+1/t20-/m0/s1