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

Systemtic Name: 4-piperazin-4-ium-1-yl-2-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-piperazin-4-ium-1-yl-2-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(1-piperazin-4-iumyl)-2-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-piperazin-4-ium-1-yl-2-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-piperazin-4-ium-1-yl-2-propyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

Isomeric SMILES

CCCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

InChI

InChI=1S/C17H24N4S/c1-2-5-14-19-16(21-10-8-18-9-11-21)15-12-6-3-4-7-13(12)22-17(15)20-14/h18H,2-11H2,1H3/p+1