ethyl-[(3S)-1-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(1-benzylpyrazole-4-carbonyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(1-benzylpyrazole-4-carbonyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O/c1-2-27(16-21-10-12-25-13-11-21)23-9-6-14-28(19-23)24(30)22-15-26-29(18-22)17-20-7-4-3-5-8-20/h3-5,7-8,10-13,15,18,23H,2,6,9,14,16-17,19H2,1H3/p+1/t23-/m0/s1