phenyl-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: phenyl-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: phenyl-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: phenyl-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: phenyl-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: phenyl-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]methanone Formula: C16H24N3O+ MolecularWeight: 274.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC=C2)CN3CC[NH2+]CC3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CC=C2)CN3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c20-16(14-5-2-1-3-6-14)19-10-4-7-15(19)13-18-11-8-17-9-12-18/h1-3,5-6,15,17H,4,7-13H2/p+1/t15-/m0/s1