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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)O)OC

InChI

InChI=1S/C21H25NO4/c1-25-18-8-9-19(20(12-18)26-2)21(24)16-6-4-10-22(14-16)13-15-5-3-7-17(23)11-15/h3,5,7-9,11-12,16,23H,4,6,10,13-14H2,1-2H3/p+1/t16-/m0/s1