(4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl]-methyl-ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)N(C)CC2=CC=C(C=C2)SC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=O)N(C)CC2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C22H30N2O3S/c1-6-27-20-12-9-18(13-21(20)26-4)14-23(2)16-22(25)24(3)15-17-7-10-19(28-5)11-8-17/h7-13H,6,14-16H2,1-5H3/p+1