7-methyl-3-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 7-methyl-3-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-7-methyl-quinazolin-4-one CAS Name: 3-[2-[(3S)-3-hydroxy-1-piperidin-1-iumyl]ethyl]-7-methyl-4-quinazolinone IUPAC Name: 3-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-7-methylquinazolin-4-one Traditional Name: 3-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-7-methyl-quinazolin-4-one Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C=N2)CC[NH+]3CCCC(C3)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=N2)CC[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C16H21N3O2/c1-12-4-5-14-15(9-12)17-11-19(16(14)21)8-7-18-6-2-3-13(20)10-18/h4-5,9,11,13,20H,2-3,6-8,10H2,1H3/p+1/t13-/m0/s1