ethyl-(pyridin-4-ylmethyl)-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]azanium

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-(8-quinolylsulfonyl)-3-piperidyl]ammonium CAS Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(8-quinolinylsulfonyl)-3-piperidinyl]ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(3S)-1-(8-quinolylsulfonyl)-3-piperidyl]ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-2-25(16-18-10-13-23-14-11-18)20-8-5-15-26(17-20)29(27,28)21-9-3-6-19-7-4-12-24-22(19)21/h3-4,6-7,9-14,20H,2,5,8,15-17H2,1H3/p+1/t20-/m0/s1