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

Systemtic Name: 4-[4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 4-[4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 4-[4-[(5-methyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 4-[4-[(5-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 4-[4-[(5-methyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C23H27N4S+ MolecularWeight: 391.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCN(CC2)C3=NC(=NC4=C3CCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4S/c1-17-10-11-19(28-17)16-26-12-14-27(15-13-26)23-20-8-5-9-21(20)24-22(25-23)18-6-3-2-4-7-18/h2-4,6-7,10-11H,5,8-9,12-16H2,1H3/p+1