6-butyl-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one

Systemtic Name: 6-butyl-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 6-butyl-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 6-butyl-2-methyl-3-(1-piperidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 6-butyl-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 6-butyl-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-4-quinolone Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H28N2O/c1-3-4-8-16-9-10-19-17(13-16)20(23)18(15(2)21-19)14-22-11-6-5-7-12-22/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,21,23)/p+1