ethyl 4-[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H29N4O3+ MolecularWeight: 349.44786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H28N4O3/c1-5-25-18(24)22-12-10-21(11-13-22)14(2)17(23)19-15-6-8-16(9-7-15)20(3)4/h6-9,14H,5,10-13H2,1-4H3,(H,19,23)/p+1/t14-/m1/s1