3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-8-methyl-quinazolin-4-one Openeye Name: 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-8-methyl-quinazolin-4-one CAS Name: 3-[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethyl]-8-methyl-4-quinazolinone IUPAC Name: 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-8-methylquinazolin-4-one Traditional Name: 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-8-methyl-quinazolin-4-one Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCN2C=NC3=C(C2=O)C=CC=C3C)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCN2C=NC3=C(C2=O)C=CC=C3C)C

InChI

InChI=1S/C18H25N3O/c1-13-9-14(2)11-20(10-13)7-8-21-12-19-17-15(3)5-4-6-16(17)18(21)22/h4-6,12-14H,7-11H2,1-3H3/p+1/t13-,14-/m0/s1