(2S)-2-(5-chloranyl-2-oxidanyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(5-chloranyl-2-oxidanyl-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(5-chloro-2-hydroxy-phenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(5-chloro-2-hydroxyphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(5-chloro-2-hydroxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(5-chloro-2-hydroxy-phenyl)-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=C(C=CC(=C2)Cl)O)C(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C2=C(C=CC(=C2)Cl)O)C(=O)N3CCNCC3

InChI

InChI=1S/C16H22ClN3O2/c17-12-3-4-14(21)13(11-12)15(19-7-1-2-8-19)16(22)20-9-5-18-6-10-20/h3-4,11,15,18,21H,1-2,5-10H2/p+1/t15-/m0/s1