(2S)-2-(3-hydroxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(3-hydroxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(3-hydroxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(3-hydroxyphenyl)-1-(1-piperazinyl)-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(3-hydroxyphenyl)-1-piperazin-1-yl-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(3-hydroxyphenyl)-1-piperazino-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c20-14-5-3-4-13(12-14)15(18-8-1-2-9-18)16(21)19-10-6-17-7-11-19/h3-5,12,15,17,20H,1-2,6-11H2/p+1/t15-/m0/s1