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

Systemtic Name: 4-[[6-chloranyl-4-(2-methoxyethyl)-4-(methoxymethyl)-3-oxidanylidene-pyrazin-4-ium-2-yl]amino]-3,5-dimethyl-thiobenzaldehyde Openeye Name: 4-[[6-chloro-4-(2-methoxyethyl)-4-(methoxymethyl)-3-oxo-pyrazin-4-ium-2-yl]amino]-3,5-dimethyl-thiobenzaldehyde CAS Name: 4-[[6-chloro-4-(2-methoxyethyl)-4-(methoxymethyl)-3-oxo-2-pyrazin-4-iumyl]amino]-3,5-dimethylthiobenzaldehyde IUPAC Name: 4-[[6-chloro-4-(2-methoxyethyl)-4-(methoxymethyl)-3-oxopyrazin-4-ium-2-yl]amino]-3,5-dimethylthiobenzaldehyde Traditional Name: 4-[[6-chloro-3-keto-4-(2-methoxyethyl)-4-(methoxymethyl)pyrazin-4-ium-2-yl]amino]-3,5-dimethyl-thiobenzaldehyde Formula: C18H23ClN3O3S+ MolecularWeight: 396.91152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCOC)COC)Cl)C)C=S

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCOC)COC)Cl)C)C=S

InChI

InChI=1S/C18H22ClN3O3S/c1-12-7-14(10-26)8-13(2)16(12)21-17-18(23)22(11-25-4,5-6-24-3)9-15(19)20-17/h7-10H,5-6,11H2,1-4H3/p+1