1-piperazin-4-ium-1-yl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Systemtic Name: 1-piperazin-4-ium-1-yl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 1-piperazin-4-ium-1-yl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 1-(1-piperazin-4-iumyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 1-piperazin-4-ium-1-yl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 1-piperazin-4-ium-1-yl-3-thioxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C14H19N4S+ MolecularWeight: 275.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=S)C(=C2C1)C#N)N3CC[NH2+]CC3

Isomeric SMILES

C1CCC2=C(NC(=S)C(=C2C1)C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C14H18N4S/c15-9-12-10-3-1-2-4-11(10)13(17-14(12)19)18-7-5-16-6-8-18/h16H,1-8H2,(H,17,19)/p+1