2-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-(2-oxidanylidenepropyl)quinazolin-4-one

Systemtic Name: 2-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-(2-oxidanylidenepropyl)quinazolin-4-one Openeye Name: 3-acetonyl-2-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 2-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-3-(2-oxopropyl)-4-quinazolinone IUPAC Name: 2-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-(2-oxopropyl)quinazolin-4-one Traditional Name: 3-acetonyl-2-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)C

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)C

InChI

InChI=1S/C19H25N3O2/c1-3-15-8-6-7-11-21(15)13-18-20-17-10-5-4-9-16(17)19(24)22(18)12-14(2)23/h4-5,9-10,15H,3,6-8,11-13H2,1-2H3/p+1/t15-/m1/s1