(3,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-salicylpiperidin-1-ium-3-yl]methanone Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3O)OC

InChI

InChI=1S/C21H25NO4/c1-25-19-10-9-15(12-20(19)26-2)21(24)17-7-5-11-22(14-17)13-16-6-3-4-8-18(16)23/h3-4,6,8-10,12,17,23H,5,7,11,13-14H2,1-2H3/p+1/t17-/m0/s1