7-methyl-1-morpholin-4-yl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 7-methyl-1-morpholin-4-yl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-methyl-1-morpholino-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-1-(4-morpholinyl)-3-[2-(1-piperidin-1-iumyl)ethylthio]-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-methyl-1-morpholin-4-yl-3-(2-piperidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 7-methyl-1-morpholino-3-(2-piperidin-1-ium-1-ylethylthio)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C21H34N5OS+3 MolecularWeight: 404.59256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC[NH+]4CCCCC4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC[NH+]4CCCCC4)C#N

InChI

InChI=1S/C21H31N5OS/c1-24-8-5-17-18(15-22)21(28-14-11-25-6-3-2-4-7-25)23-20(19(17)16-24)26-9-12-27-13-10-26/h2-14,16H2,1H3/p+3