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

Systemtic Name: [(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]-(4-phenylpiperazino)methanone Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c19-13-10-14(16-11-13)15(20)18-8-6-17(7-9-18)12-4-2-1-3-5-12/h1-5,13-14,16,19H,6-11H2/p+1/t13-,14+/m1/s1