3-(4-methyl-4H-quinolin-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 3-(4-methyl-4H-quinolin-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 3-(4-methyl-4H-quinolin-1-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: 3-(4-methyl-4H-quinolin-1-yl)-1-propanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 3-(4-methyl-4H-quinolin-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 3-(4-methyl-4H-quinolin-1-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CN(C2=CC=CC=C12)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CC1C=CN(C2=CC=CC=C12)CCCS(=O)(=O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C13H17NO3S.C5H11NO2/c1-11-7-9-14(8-4-10-18(15,16)17)13-6-3-2-5-12(11)13;1-6(2,3)4-5(7)8/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,15,16,17);4H2,1-3H3