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

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]propanamide Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]propanamide CAS Name: 3-(2-methyl-4-oxo-3-quinazolinyl)-N-[2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]propanamide IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]propanamide Traditional Name: 3-(4-keto-2-methyl-quinazolin-3-yl)-N-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]propionamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCNC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C20H28N4O2/c1-15-7-5-6-12-23(15)14-11-21-19(25)10-13-24-16(2)22-18-9-4-3-8-17(18)20(24)26/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,21,25)/p+1/t15-/m0/s1