7-[[4-[2-[2-[(2S)-butan-2-yl]phenoxy]ethanoyl]piperazin-1-yl]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[[4-[2-[2-[(2S)-butan-2-yl]phenoxy]ethanoyl]piperazin-1-yl]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[4-[2-[2-[(1S)-1-methylpropyl]phenoxy]acetyl]piperazin-1-yl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[4-[2-[2-[(2S)-butan-2-yl]phenoxy]-1-oxoethyl]-1-piperazinyl]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[4-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]piperazin-1-yl]methyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[4-[2-[2-[(1S)-1-methylpropyl]phenoxy]acetyl]piperazino]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C23H28N4O3S/c1-3-17(2)19-6-4-5-7-20(19)30-16-22(29)26-10-8-25(9-11-26)15-18-14-21(28)27-12-13-31-23(27)24-18/h4-7,12-14,17H,3,8-11,15-16H2,1-2H3/p+1/t17-/m0/s1