(2,3-dimethoxyphenyl)methyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]-[(2,3-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]-methyl-o-veratryl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+](C)CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+](C)CC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C21H26N2O4/c1-14(21(25)22-18-11-9-16(10-12-18)15(2)24)23(3)13-17-7-6-8-19(26-4)20(17)27-5/h6-12,14H,13H2,1-5H3,(H,22,25)/p+1/t14-/m1/s1