2-phenyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 2-phenyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-phenyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-phenyl-4-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-phenyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-phenyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)N5CC[NH2+]CC5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=CC=C4)N5CC[NH2+]CC5

InChI

InChI=1S/C20H22N4S/c1-2-6-14(7-3-1)18-22-19(24-12-10-21-11-13-24)17-15-8-4-5-9-16(15)25-20(17)23-18/h1-3,6-7,21H,4-5,8-13H2/p+1