2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(1H-pyrrol-2-yl)thiazol-2-yl]methyl]quinazolin-4-one CAS Name: 2-(4-morpholin-4-iumylmethyl)-3-[[4-(1H-pyrrol-2-yl)-2-thiazolyl]methyl]-4-quinazolinone IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(1H-pyrrol-2-yl)thiazol-2-yl]methyl]quinazolin-4-one Formula: C21H22N5O2S+ MolecularWeight: 408.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC=CN5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC=CN5

InChI

InChI=1S/C21H21N5O2S/c27-21-15-4-1-2-5-16(15)23-19(12-25-8-10-28-11-9-25)26(21)13-20-24-18(14-29-20)17-6-3-7-22-17/h1-7,14,22H,8-13H2/p+1