3-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one Openeye Name: 3-[[4-(4-ethoxyphenyl)thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one CAS Name: 3-[[4-(4-ethoxyphenyl)-2-thiazolyl]methyl]-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-quinazolinone IUPAC Name: 3-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-4-ium-1-yl)methyl]quinazolin-4-one Traditional Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-[(4-p-phenetylthiazol-2-yl)methyl]quinazolin-4-one Formula: C26H30N5O2S+ MolecularWeight: 476.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)CN5CC[NH+](CC5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)CN5CC[NH+](CC5)C

InChI

InChI=1S/C26H29N5O2S/c1-3-33-20-10-8-19(9-11-20)23-18-34-25(28-23)17-31-24(16-30-14-12-29(2)13-15-30)27-22-7-5-4-6-21(22)26(31)32/h4-11,18H,3,12-17H2,1-2H3/p+1