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

Systemtic Name: (4-dimethylaminophenyl)methyl-[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-15(21(26)22-19-8-6-7-18(13-19)16(2)25)24(5)14-17-9-11-20(12-10-17)23(3)4/h6-13,15H,14H2,1-5H3,(H,22,26)/p+1/t15-/m1/s1