(2S)-1-[4-(4-aminophenyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-[4-(4-aminophenyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-1-[4-(4-aminophenyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-propan-1-one CAS Name: (2S)-1-[4-(4-aminophenyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-[4-(4-aminophenyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-1-[4-(4-aminophenyl)piperazino]-2-pyrrolidin-1-ium-1-yl-propan-1-one Formula: C17H27N4O+ MolecularWeight: 303.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)N)[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)N)[NH+]3CCCC3

InChI

InChI=1S/C17H26N4O/c1-14(19-8-2-3-9-19)17(22)21-12-10-20(11-13-21)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13,18H2,1H3/p+1/t14-/m0/s1