3-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-[2-keto-2-(p-toluidino)ethoxy]-3-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C22H33N3O3+2 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CCC[NH+](C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]CCC[NH+](C)C)OC

InChI

InChI=1S/C22H31N3O3/c1-17-6-9-19(10-7-17)24-22(26)16-28-20-11-8-18(14-21(20)27-4)15-23-12-5-13-25(2)3/h6-11,14,23H,5,12-13,15-16H2,1-4H3,(H,24,26)/p+2