6-chloranyl-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]quinazolin-4-one Openeye Name: 6-chloro-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one CAS Name: 6-chloro-3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 6-chloro-3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]quinazolin-4-one Formula: C18H18ClN4O2S+ MolecularWeight: 389.87912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H17ClN4O2S/c19-13-3-4-15-14(10-13)17(24)23(11-20-15)12-21-5-7-22(8-6-21)18(25)16-2-1-9-26-16/h1-4,9-11H,5-8,12H2/p+1