1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O)C

InChI

InChI=1S/C19H29N3O2/c1-15-4-3-5-16(2)22(15)19(24)14-20-10-12-21(13-11-20)17-6-8-18(23)9-7-17/h6-9,15-16,23H,3-5,10-14H2,1-2H3/p+1/t15-,16-/m1/s1