(2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: (2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-ethanone Openeye Name: (2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-ethanone CAS Name: (2S)-2-(4-hydroxyphenyl)-1-(1-piperazinyl)-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: (2S)-2-(4-hydroxyphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-ylethanone Traditional Name: (2S)-2-(4-hydroxyphenyl)-1-piperazino-2-piperidin-1-ium-1-yl-ethanone Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=C(C=C2)O)C(=O)N3CCNCC3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C2=CC=C(C=C2)O)C(=O)N3CCNCC3

InChI

InChI=1S/C17H25N3O2/c21-15-6-4-14(5-7-15)16(19-10-2-1-3-11-19)17(22)20-12-8-18-9-13-20/h4-7,16,18,21H,1-3,8-13H2/p+1/t16-/m0/s1