2-cyclohexyl-4-[1-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-ium-1-yl]butanoic acid

Systemtic Name: 2-cyclohexyl-4-[1-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-ium-1-yl]butanoic acid Openeye Name: 2-cyclohexyl-4-[1-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-ium-1-yl]butanoic acid CAS Name: 2-cyclohexyl-4-[1-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidin-1-iumyl]butanoic acid IUPAC Name: 2-cyclohexyl-4-[1-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-ium-1-yl]butanoic acid Traditional Name: 2-cyclohexyl-4-[1-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-ium-1-yl]butyric acid Formula: C23H36NO3+ MolecularWeight: 374.53684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1C)(CCC(C2CCCCC2)C(=O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CC1CC[N+](CC1C)(CCC(C2CCCCC2)C(=O)O)C3=CC(=CC=C3)O

InChI

InChI=1S/C23H35NO3/c1-17-11-13-24(16-18(17)2,20-9-6-10-21(25)15-20)14-12-22(23(26)27)19-7-4-3-5-8-19/h6,9-10,15,17-19,22H,3-5,7-8,11-14,16H2,1-2H3,(H-,25,26,27)/p+1