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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(4-propylphenyl)thiazol-2-yl]methyl]quinazolin-4-one CAS Name: 2-(4-morpholin-4-iumylmethyl)-3-[[4-(4-propylphenyl)-2-thiazolyl]methyl]-4-quinazolinone IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(4-propylphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(4-propylphenyl)thiazol-2-yl]methyl]quinazolin-4-one Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)C[NH+]5CCOCC5

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)C[NH+]5CCOCC5

InChI

InChI=1S/C26H28N4O2S/c1-2-5-19-8-10-20(11-9-19)23-18-33-25(28-23)17-30-24(16-29-12-14-32-15-13-29)27-22-7-4-3-6-21(22)26(30)31/h3-4,6-11,18H,2,5,12-17H2,1H3/p+1