1-(3-methylbutyl)-3-quinolin-1-ium-2-yl-quinolin-2-one

Systemtic Name: 1-(3-methylbutyl)-3-quinolin-1-ium-2-yl-quinolin-2-one Openeye Name: 1-isopentyl-3-quinolin-1-ium-2-yl-quinolin-2-one CAS Name: 1-(3-methylbutyl)-3-(2-quinolin-1-iumyl)-2-quinolinone IUPAC Name: 1-(3-methylbutyl)-3-quinolin-1-ium-2-ylquinolin-2-one Traditional Name: 1-isoamyl-3-quinolin-1-ium-2-yl-carbostyril Formula: C23H23N2O+ MolecularWeight: 343.44152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C=C(C1=O)C3=[NH+]C4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C=C(C1=O)C3=[NH+]C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H22N2O/c1-16(2)13-14-25-22-10-6-4-8-18(22)15-19(23(25)26)21-12-11-17-7-3-5-9-20(17)24-21/h3-12,15-16H,13-14H2,1-2H3/p+1