(4-tert-butylphenyl)-[(3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-3-yl]methanone Formula: C25H34NO4+ MolecularWeight: 412.54176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C25H33NO4/c1-25(2,3)20-10-8-18(9-11-20)23(27)19-7-6-12-26(16-19)15-17-13-21(29-4)24(28)22(14-17)30-5/h8-11,13-14,19,28H,6-7,12,15-16H2,1-5H3/p+1/t19-/m0/s1