(2R)-2-(3-hydroxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-ethanone

Systemtic Name: (2R)-2-(3-hydroxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-ethanone Openeye Name: (2R)-2-(3-hydroxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-ethanone CAS Name: (2R)-2-(3-hydroxyphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)ethanone IUPAC Name: (2R)-2-(3-hydroxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-ylethanone Traditional Name: (2R)-2-(3-hydroxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazino-ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C2=CC(=CC=C2)O)C(=O)N3CCNCC3

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@H](C2=CC(=CC=C2)O)C(=O)N3CCNCC3

InChI

InChI=1S/C18H27N3O2/c1-14-5-2-3-10-21(14)17(15-6-4-7-16(22)13-15)18(23)20-11-8-19-9-12-20/h4,6-7,13-14,17,19,22H,2-3,5,8-12H2,1H3/p+1/t14-,17+/m0/s1