6,7-dimethoxy-2-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C18H22N5O3S+ MolecularWeight: 388.46398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C4=NC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C4=NC=CS4)OC

InChI

InChI=1S/C18H21N5O3S/c1-25-14-9-12-13(10-15(14)26-2)20-16(21-17(12)24)11-22-4-6-23(7-5-22)18-19-3-8-27-18/h3,8-10H,4-7,11H2,1-2H3,(H,20,21,24)/p+1