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

Systemtic Name: (2S)-2-(4-ethoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-ethoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-ethoxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-ethoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-p-phenetyl-1,2-dihydroquinazolin-4-one Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H29N3O3/c1-2-29-19-10-8-18(9-11-19)22-24-21-7-4-3-6-20(21)23(27)26(22)13-5-12-25-14-16-28-17-15-25/h3-4,6-11,22,24H,2,5,12-17H2,1H3/p+1/t22-/m0/s1