[4-(3-chlorophenyl)piperazin-1-yl]-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Formula: C15H21ClN3O2+ MolecularWeight: 310.79914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C15H20ClN3O2/c16-11-2-1-3-12(8-11)18-4-6-19(7-5-18)15(21)14-9-13(20)10-17-14/h1-3,8,13-14,17,20H,4-7,9-10H2/p+1/t13-,14+/m1/s1