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

Systemtic Name: 4-[4-[(2S)-4-methylsulfanylbutan-2-yl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 4-[4-[(1S)-1-methyl-3-methylsulfanyl-propyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 4-[4-[(2S)-4-(methylthio)butan-2-yl]-1-piperazin-4-iumyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 4-[4-[(2S)-4-methylsulfanylbutan-2-yl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 4-[4-[(1S)-1-methyl-3-(methylthio)propyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C22H31N4S+ MolecularWeight: 383.57334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4S/c1-17(11-16-27-2)25-12-14-26(15-13-25)22-19-9-6-10-20(19)23-21(24-22)18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3/p+1/t17-/m0/s1