4-[4-[(2S)-1-methylsulfanylpropan-2-yl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Systemtic Name: 4-[4-[(2S)-1-methylsulfanylpropan-2-yl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 4-[4-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 4-[4-[(2S)-1-(methylthio)propan-2-yl]-1-piperazin-4-iumyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 4-[4-[(2S)-1-methylsulfanylpropan-2-yl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 4-[4-[(1S)-1-methyl-2-(methylthio)ethyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C21H29N4S+ MolecularWeight: 369.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCN(CC1)C2=NC(=NC3=C2CCC3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCN(CC1)C2=NC(=NC3=C2CCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4S/c1-16(15-26-2)24-11-13-25(14-12-24)21-18-9-6-10-19(18)22-20(23-21)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/p+1/t16-/m0/s1