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

Systemtic Name: [(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone CAS Name: [(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Traditional Name: (4-benzylpiperazino)-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C16H23N3O2/c20-14-10-15(17-11-14)16(21)19-8-6-18(7-9-19)12-13-4-2-1-3-5-13/h1-5,14-15,17,20H,6-12H2/p+1/t14-,15+/m1/s1