(2,4-dimethylphenyl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2,4-dimethylphenyl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (2,4-dimethylphenyl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]-(2,4-dimethylbenzyl)-methyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C21H26N2O3/c1-15-5-8-19(16(2)11-15)13-23(3)14-20(24)22-12-17-6-9-18(10-7-17)21(25)26-4/h5-11H,12-14H2,1-4H3,(H,22,24)/p+1