[(3S)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(2-hydroxy-4-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(=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC)O

Isomeric SMILES

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

InChI

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