2-[(1R)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-p-phenetylethyl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CC[NH+](CC2)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H31N3O2/c1-3-30-21-12-10-19(11-13-21)8-9-20-14-16-28(17-15-20)18(2)24-26-23-7-5-4-6-22(23)25(29)27-24/h4-7,10-13,18,20H,3,8-9,14-17H2,1-2H3,(H,26,27,29)/p+1/t18-/m1/s1