3-[2-methyl-4-(propylamino)quinolin-1-ium-3-yl]propanoate

Systemtic Name: 3-[2-methyl-4-(propylamino)quinolin-1-ium-3-yl]propanoate Openeye Name: 3-[2-methyl-4-(propylamino)quinolin-1-ium-3-yl]propanoate CAS Name: 3-[2-methyl-4-(propylamino)-3-quinolin-1-iumyl]propanoate IUPAC Name: 3-[2-methyl-4-(propylamino)quinolin-1-ium-3-yl]propanoate Traditional Name: 3-[2-methyl-4-(propylamino)quinolin-1-ium-3-yl]propionate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=[NH+]C2=CC=CC=C21)C)CCC(=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=[NH+]C2=CC=CC=C21)C)CCC(=O)[O-]

InChI

InChI=1S/C16H20N2O2/c1-3-10-17-16-12(8-9-15(19)20)11(2)18-14-7-5-4-6-13(14)16/h4-7H,3,8-10H2,1-2H3,(H,17,18)(H,19,20)