3-phenyl-7-[(4-phenylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-phenyl-7-[(4-phenylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-phenyl-7-[(4-phenylpiperazin-1-yl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-phenyl-7-[(4-phenyl-1-piperazinyl)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-phenyl-7-[(4-phenylpiperazin-1-yl)methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-phenyl-7-[(4-phenylpiperazino)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=C(N2)SC=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=C(N2)SC=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4OS/c28-22-15-19(16-25-11-13-26(14-12-25)20-9-5-2-6-10-20)24-23-27(22)21(17-29-23)18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2/p+1