3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCCC1CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O/c1-14(2)21-11-6-5-7-15(21)10-12-20-13-19-17-9-4-3-8-16(17)18(20)22/h3-4,8-9,13-15H,5-7,10-12H2,1-2H3/p+1/t15-/m0/s1