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

Systemtic Name: ethyl-[(3S)-1-(phenylmethyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-benzylsulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-(phenylmethyl)sulfonyl-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-benzylsulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-benzylsulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S/c1-2-22(15-18-10-12-21-13-11-18)20-9-6-14-23(16-20)26(24,25)17-19-7-4-3-5-8-19/h3-5,7-8,10-13,20H,2,6,9,14-17H2,1H3/p+1/t20-/m0/s1