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

Systemtic Name: 6-(diethylamino)-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Openeye Name: 6-(diethylamino)-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one CAS Name: 6-(diethylamino)-2-methyl-3-(1-piperidin-1-iumylmethyl)-1H-quinolin-4-one IUPAC Name: 6-(diethylamino)-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-1H-quinolin-4-one Traditional Name: 6-(diethylamino)-2-methyl-3-(piperidin-1-ium-1-ylmethyl)-4-quinolone Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O/c1-4-23(5-2)16-9-10-19-17(13-16)20(24)18(15(3)21-19)14-22-11-7-6-8-12-22/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,21,24)/p+1