(2S)-2-(3-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone

Systemtic Name: (2S)-2-(3-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(3-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone CAS Name: (2S)-2-(3-hydroxyphenyl)-2-(4-methyl-1-piperidin-1-iumyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(3-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(3-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazino-ethanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC(=CC=C2)O)C(=O)N3CCNCC3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CC(=CC=C2)O)C(=O)N3CCNCC3

InChI

InChI=1S/C18H27N3O2/c1-14-5-9-20(10-6-14)17(15-3-2-4-16(22)13-15)18(23)21-11-7-19-8-12-21/h2-4,13-14,17,19,22H,5-12H2,1H3/p+1/t17-/m0/s1