2-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

Systemtic Name: 2-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Openeye Name: 2-phenyl-4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine CAS Name: 2-phenyl-4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine IUPAC Name: 2-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Traditional Name: 2-phenyl-4-[4-(3-thenyl)piperazin-4-ium-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine Formula: C22H25N4S+ MolecularWeight: 377.5257

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CSC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=CSC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H24N4S/c1-2-5-18(6-3-1)21-23-20-8-4-7-19(20)22(24-21)26-12-10-25(11-13-26)15-17-9-14-27-16-17/h1-3,5-6,9,14,16H,4,7-8,10-13,15H2/p+1