2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H32N3O3S+ MolecularWeight: 406.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H31N3O3S/c1-17-7-2-3-11-22(17)16-21(25)24-14-6-8-18-15-19(9-10-20(18)24)28(26,27)23-12-4-5-13-23/h9-10,15,17H,2-8,11-14,16H2,1H3/p+1/t17-/m0/s1