8-[(E)-2-[1-(2-azanylethyl)-6-methoxy-quinolin-1-ium-2-yl]ethenyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[(E)-2-[1-(2-azanylethyl)-6-methoxy-quinolin-1-ium-2-yl]ethenyl]naphthalene-1-carboxylic acid Openeye Name: 8-[(E)-2-[1-(2-aminoethyl)-6-methoxy-quinolin-1-ium-2-yl]vinyl]naphthalene-1-carboxylic acid CAS Name: 8-[(E)-2-[1-(2-aminoethyl)-6-methoxy-2-quinolin-1-iumyl]ethenyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[(E)-2-[1-(2-aminoethyl)-6-methoxyquinolin-1-ium-2-yl]ethenyl]naphthalene-1-carboxylic acid Traditional Name: 8-[(E)-2-[1-(2-aminoethyl)-6-methoxy-quinolin-1-ium-2-yl]vinyl]-1-naphthoic acid Formula: C25H23N2O3+ MolecularWeight: 399.46172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC=CC4=C3C(=CC=C4)C(=O)O)CCN

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC=CC4=C3C(=CC=C4)C(=O)O)CCN

InChI

InChI=1S/C25H22N2O3/c1-30-21-12-13-23-19(16-21)9-11-20(27(23)15-14-26)10-8-18-5-2-4-17-6-3-7-22(24(17)18)25(28)29/h2-13,16H,14-15,26H2,1H3/p+1/b10-8+