(7S)-7-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-7-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-(2-morpholin-4-ium-4-ylethylamino)-7-(p-tolyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-7-(4-methylphenyl)-2-[2-(4-morpholin-4-iumyl)ethylamino]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-7-(4-methylphenyl)-2-(2-morpholin-4-ium-4-ylethylamino)-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-(2-morpholin-4-ium-4-ylethylamino)-7-(p-tolyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=NC(=NC=C3C(=O)C2)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC3=NC(=NC=C3C(=O)C2)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H26N4O2/c1-15-2-4-16(5-3-15)17-12-19-18(20(26)13-17)14-23-21(24-19)22-6-7-25-8-10-27-11-9-25/h2-5,14,17H,6-13H2,1H3,(H,22,23,24)/p+1/t17-/m0/s1