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

Systemtic Name: 3-[2-methyl-4-[(phenylmethyl)amino]quinolin-1-ium-3-yl]propanoate Openeye Name: 3-[4-(benzylamino)-2-methyl-quinolin-1-ium-3-yl]propanoate CAS Name: 3-[2-methyl-4-[(phenylmethyl)amino]-3-quinolin-1-iumyl]propanoate IUPAC Name: 3-[4-(benzylamino)-2-methylquinolin-1-ium-3-yl]propanoate Traditional Name: 3-[4-(benzylamino)-2-methyl-quinolin-1-ium-3-yl]propionate Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1CCC(=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1CCC(=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2/c1-14-16(11-12-19(23)24)20(17-9-5-6-10-18(17)22-14)21-13-15-7-3-2-4-8-15/h2-10H,11-13H2,1H3,(H,21,22)(H,23,24)