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

Systemtic Name: ethyl-[(3S)-1-(3-methylphenyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(m-tolylsulfonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-(3-methylphenyl)sulfonyl-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(3-methylphenyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(m-tolylsulfonyl)-3-piperidyl]-(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)C3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-3-22(15-18-9-11-21-12-10-18)19-7-5-13-23(16-19)26(24,25)20-8-4-6-17(2)14-20/h4,6,8-12,14,19H,3,5,7,13,15-16H2,1-2H3/p+1/t19-/m0/s1