[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(3,4-dimethoxyanilino)-2-keto-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O3/c1-15(2)17-8-6-16(7-9-17)13-23(3)14-21(24)22-18-10-11-19(25-4)20(12-18)26-5/h6-12,15H,13-14H2,1-5H3,(H,22,24)/p+1