methyl-(2-pyridin-2-ylethyl)-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]azanium

Systemtic Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]azanium Openeye Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(8-quinolylsulfonyl)-3-piperidyl]ammonium CAS Name: methyl-[2-(2-pyridinyl)ethyl]-[(3S)-1-(8-quinolinylsulfonyl)-3-piperidinyl]ammonium IUPAC Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(8-quinolylsulfonyl)-3-piperidyl]ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-25(16-12-19-9-2-3-13-23-19)20-10-6-15-26(17-20)29(27,28)21-11-4-7-18-8-5-14-24-22(18)21/h2-5,7-9,11,13-14,20H,6,10,12,15-17H2,1H3/p+1/t20-/m0/s1