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

Systemtic Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone Openeye Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-yl-ethanone CAS Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methyl-1-piperidin-1-iumyl)-1-(1-piperazinyl)ethanone IUPAC Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)-1-piperazin-1-ylethanone Traditional Name: (2S)-2-(4-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=C(C=C2)O)C(=O)N3CCNCC3

Isomeric SMILES

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

InChI

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