6-methoxy-4-[(2S)-2-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-methoxy-4-[(2S)-2-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-methoxy-4-[(2S)-2-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-methoxy-4-[(2S)-2-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-methoxy-4-[(2S)-2-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-methoxy-4-[(2S)-2-methylpiperidino]quinolin-1-ium Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

C[C@H]1CCCCN1C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H24N2O3S/c1-16-8-6-7-13-24(16)22-19-14-17(27-2)11-12-20(19)23-15-21(22)28(25,26)18-9-4-3-5-10-18/h3-5,9-12,14-16H,6-8,13H2,1-2H3/p+1/t16-/m0/s1