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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC(=CC=C2)O)C(=O)N3CCNCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=CC(=CC=C2)O)C(=O)N3CCNCC3

InChI

InChI=1S/C18H27N3O2/c1-14-4-3-9-21(13-14)17(15-5-2-6-16(22)12-15)18(23)20-10-7-19-8-11-20/h2,5-6,12,14,17,19,22H,3-4,7-11,13H2,1H3/p+1/t14-,17+/m0/s1