(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[3-(4-morpholin-4-iumyl)propyl]-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C24H31N3O3/c1-2-16-30-20-10-8-19(9-11-20)23-25-22-7-4-3-6-21(22)24(28)27(23)13-5-12-26-14-17-29-18-15-26/h3-4,6-11,23,25H,2,5,12-18H2,1H3/p+1/t23-/m0/s1