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

Systemtic Name: 6,6,7-trimethyl-1-piperazin-4-ium-1-yl-3-sulfanylidene-2,5,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile Openeye Name: 6,6,7-trimethyl-1-piperazin-4-ium-1-yl-3-thioxo-2,5,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile CAS Name: 6,6,7-trimethyl-1-(1-piperazin-4-iumyl)-3-sulfanylidene-2,5,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile IUPAC Name: 6,6,7-trimethyl-1-piperazin-4-ium-1-yl-3-sulfanylidene-2,5,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile Traditional Name: 6,6,7-trimethyl-1-piperazin-4-ium-1-yl-3-thioxo-2,5,7,8-tetrahydro-2,7-naphthyridin-7-ium-4-carbonitrile Formula: C16H25N5S+2 MolecularWeight: 319.4682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=S)NC(=C2C[NH+]1C)N3CC[NH2+]CC3)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=S)NC(=C2C[NH+]1C)N3CC[NH2+]CC3)C#N)C

InChI

InChI=1S/C16H23N5S/c1-16(2)8-11-12(9-17)15(22)19-14(13(11)10-20(16)3)21-6-4-18-5-7-21/h18H,4-8,10H2,1-3H3,(H,19,22)/p+2