3-[4-[2-oxidanylidene-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[2-oxidanylidene-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2-oxo-2-(4-piperidin-1-ium-1-yl-1-piperidyl)ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2-oxo-2-[4-(1-piperidin-1-iumyl)-1-piperidinyl]ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2-oxo-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[2-keto-2-(4-piperidin-1-ium-1-ylpiperidino)ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C26H30N4O2S/c31-24(29-16-12-20(13-17-29)28-14-4-1-5-15-28)18-19-8-10-21(11-9-19)30-25(32)22-6-2-3-7-23(22)27-26(30)33/h2-3,6-11,20H,1,4-5,12-18H2,(H,27,33)/p+1