2-[[4-(methoxymethyl)-4-(3-methoxypropyl)-6-methyl-3-oxidanylidene-pyrazin-4-ium-2-yl]amino]-3,5-dimethyl-thiobenzaldehyde

Systemtic Name: 2-[[4-(methoxymethyl)-4-(3-methoxypropyl)-6-methyl-3-oxidanylidene-pyrazin-4-ium-2-yl]amino]-3,5-dimethyl-thiobenzaldehyde Openeye Name: 2-[[4-(methoxymethyl)-4-(3-methoxypropyl)-6-methyl-3-oxo-pyrazin-4-ium-2-yl]amino]-3,5-dimethyl-thiobenzaldehyde CAS Name: 2-[[4-(methoxymethyl)-4-(3-methoxypropyl)-6-methyl-3-oxo-2-pyrazin-4-iumyl]amino]-3,5-dimethylthiobenzaldehyde IUPAC Name: 2-[[4-(methoxymethyl)-4-(3-methoxypropyl)-6-methyl-3-oxopyrazin-4-ium-2-yl]amino]-3,5-dimethylthiobenzaldehyde Traditional Name: 2-[[3-keto-4-(methoxymethyl)-4-(3-methoxypropyl)-6-methyl-pyrazin-4-ium-2-yl]amino]-3,5-dimethyl-thiobenzaldehyde Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=S)NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C=S)NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C

InChI

InChI=1S/C20H27N3O3S/c1-14-9-15(2)18(17(10-14)12-27)22-19-20(24)23(13-26-5,7-6-8-25-4)11-16(3)21-19/h9-12H,6-8,13H2,1-5H3/p+1