[(3S)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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