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

Systemtic Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]quinazolin-4-one CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-[[4-(3-nitrophenyl)-2-thiazolyl]methyl]-4-quinazolinone IUPAC Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]quinazolin-4-one Formula: C24H25N6O3S+ MolecularWeight: 477.5587

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2CC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O3S/c1-27-9-11-28(12-10-27)14-22-25-20-8-3-2-7-19(20)24(31)29(22)15-23-26-21(16-34-23)17-5-4-6-18(13-17)30(32)33/h2-8,13,16H,9-12,14-15H2,1H3/p+1