[3-methoxy-5,6-dimethyl-4-(methylamino)pyrazin-4-ium-2-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone

Systemtic Name: [3-methoxy-5,6-dimethyl-4-(methylamino)pyrazin-4-ium-2-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone Openeye Name: [3-methoxy-5,6-dimethyl-4-(methylamino)pyrazin-4-ium-2-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone CAS Name: [3-methoxy-5,6-dimethyl-4-(methylamino)-2-pyrazin-4-iumyl]-[4-[2-(methylthio)phenyl]-1-piperazinyl]methanone IUPAC Name: [3-methoxy-5,6-dimethyl-4-(methylamino)pyrazin-4-ium-2-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone Traditional Name: [3-methoxy-5,6-dimethyl-4-(methylamino)pyrazin-4-ium-2-yl]-[4-[2-(methylthio)phenyl]piperazino]methanone Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C([N+](=C1C)NC)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CC1=NC(=C([N+](=C1C)NC)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C20H28N5O2S/c1-14-15(2)25(21-3)20(27-4)18(22-14)19(26)24-12-10-23(11-13-24)16-8-6-7-9-17(16)28-5/h6-9H,10-13H2,1-5H3,(H,21,22)/q+1