3-[2-methyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-yl]propanoate

Systemtic Name: 3-[2-methyl-4-[[(2S)-2-oxidanylpropyl]amino]quinolin-1-ium-3-yl]propanoate Openeye Name: 3-[4-[[(2S)-2-hydroxypropyl]amino]-2-methyl-quinolin-1-ium-3-yl]propanoate CAS Name: 3-[4-[[(2S)-2-hydroxypropyl]amino]-2-methyl-3-quinolin-1-iumyl]propanoate IUPAC Name: 3-[4-[[(2S)-2-hydroxypropyl]amino]-2-methylquinolin-1-ium-3-yl]propanoate Traditional Name: 3-[4-[[(2S)-2-hydroxypropyl]amino]-2-methyl-quinolin-1-ium-3-yl]propionate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1CCC(=O)[O-])NCC(C)O

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1CCC(=O)[O-])NC[C@H](C)O

InChI

InChI=1S/C16H20N2O3/c1-10(19)9-17-16-12(7-8-15(20)21)11(2)18-14-6-4-3-5-13(14)16/h3-6,10,19H,7-9H2,1-2H3,(H,17,18)(H,20,21)/t10-/m0/s1