ethyl N-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]carbamate CAS Name: N-[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]carbamate Traditional Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]carbamic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C17H25N3O3/c1-4-23-17(22)18-16(21)12-19-8-10-20(11-9-19)15-7-5-6-13(2)14(15)3/h5-7H,4,8-12H2,1-3H3,(H,18,21,22)/p+1