4,5,6-trimethyl-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C20H25N5O2S/c1-13-14(2)18(19(21)27)20(23-15(13)3)28-12-17(26)25-10-8-24(9-11-25)16-6-4-5-7-22-16/h4-7H,8-12H2,1-3H3,(H2,21,27)/p+1