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

Systemtic Name: 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide Openeye Name: 3-(3-methyl-4-oxo-quinazolin-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]propanamide IUPAC Name: 3-(3-methyl-4-oxoquinazolin-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propanamide Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]propionamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H30N4O2/c1-16-8-5-6-14-25(16)15-7-13-22-20(26)12-11-19-23-18-10-4-3-9-17(18)21(27)24(19)2/h3-4,9-10,16H,5-8,11-15H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1