[(1S)-2-[(2-acetyloxyphenyl)carbonylamino]-1-(4-dimethylaminophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-acetyloxyphenyl)carbonylamino]-1-(4-dimethylaminophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-acetoxybenzoyl)amino]-1-(4-dimethylaminophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-acetyloxyphenyl)-oxomethyl]amino]-1-(4-dimethylaminophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-acetyloxybenzoyl)amino]-1-(4-dimethylaminophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-acetoxybenzoyl)amino]-1-(4-dimethylaminophenyl)ethyl]-dimethyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+](C)C

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+](C)C

InChI

InChI=1S/C21H27N3O3/c1-15(25)27-20-9-7-6-8-18(20)21(26)22-14-19(24(4)5)16-10-12-17(13-11-16)23(2)3/h6-13,19H,14H2,1-5H3,(H,22,26)/p+1/t19-/m1/s1