4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Openeye Name: 4-(2-methyl-4-oxo-quinazolin-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzamide IUPAC Name: 4-(2-methyl-4-oxoquinazolin-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Traditional Name: 4-(4-keto-2-methyl-quinazolin-3-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C25H30N4O2/c1-18-8-5-6-16-28(18)17-7-15-26-24(30)20-11-13-21(14-12-20)29-19(2)27-23-10-4-3-9-22(23)25(29)31/h3-4,9-14,18H,5-8,15-17H2,1-2H3,(H,26,30)/p+1/t18-/m0/s1