3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H22N4OS/c1-18-9-11-19(12-10-18)7-4-8-20-15(21)13-5-2-3-6-14(13)17-16(20)22/h2-3,5-6H,4,7-12H2,1H3,(H,17,22)/p+1