4-[(E)-2-[1-(2-azanylethyl)quinolin-1-ium-4-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[1-(2-azanylethyl)quinolin-1-ium-4-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[1-(2-aminoethyl)quinolin-1-ium-4-yl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[1-(2-aminoethyl)-4-quinolin-1-iumyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[1-(2-aminoethyl)quinolin-1-ium-4-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-[1-(2-aminoethyl)quinolin-1-ium-4-yl]vinyl]benzoic acid Formula: C20H19N2O2+ MolecularWeight: 319.37706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[N+]2CCN)C=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2CCN)/C=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O2/c21-12-14-22-13-11-16(18-3-1-2-4-19(18)22)8-5-15-6-9-17(10-7-15)20(23)24/h1-11,13H,12,14,21H2/p+1/b8-5+