(5-chloranyl-2-methoxy-phenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H28ClN2O4+ MolecularWeight: 407.91102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)OCC

InChI

InChI=1S/C21H27ClN2O4/c1-5-27-19-10-8-17(12-20(19)28-6-2)23-21(25)14-24(3)13-15-11-16(22)7-9-18(15)26-4/h7-12H,5-6,13-14H2,1-4H3,(H,23,25)/p+1