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

Systemtic Name: 3-[4-[3-(dimethylazaniumyl)propylamino]-2-methyl-quinolin-1-ium-3-yl]propanoate Openeye Name: 3-[4-[3-(dimethylammonio)propylamino]-2-methyl-quinolin-1-ium-3-yl]propanoate CAS Name: 3-[4-[3-(dimethylammonio)propylamino]-2-methyl-3-quinolin-1-iumyl]propanoate IUPAC Name: 3-[4-[3-(dimethylazaniumyl)propylamino]-2-methylquinolin-1-ium-3-yl]propanoate Traditional Name: 3-[4-[3-(dimethylammonio)propylamino]-2-methyl-quinolin-1-ium-3-yl]propionate Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-13-14(9-10-17(22)23)18(19-11-6-12-21(2)3)15-7-4-5-8-16(15)20-13/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,20)(H,22,23)/p+1