(2S)-2-(4-dimethylaminophenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(4-dimethylaminophenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(4-dimethylaminophenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(4-dimethylaminophenyl)-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C18H29N4O+ MolecularWeight: 317.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCC3

InChI

InChI=1S/C18H28N4O/c1-20(2)16-7-5-15(6-8-16)17(21-11-3-4-12-21)18(23)22-13-9-19-10-14-22/h5-8,17,19H,3-4,9-14H2,1-2H3/p+1/t17-/m0/s1