[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[[(2R)-2-oxanyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)-4-[[(2R)-tetrahydropyran-2-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C27H38NO4+ MolecularWeight: 440.59492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(CC3CCCCO3)CO)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)(C[C@H]3CCCCO3)CO)OCC4=CC=CC=C4

InChI

InChI=1S/C27H37NO4/c1-30-26-17-23(10-11-25(26)32-20-22-7-3-2-4-8-22)19-28-14-12-27(21-29,13-15-28)18-24-9-5-6-16-31-24/h2-4,7-8,10-11,17,24,29H,5-6,9,12-16,18-21H2,1H3/p+1/t24-/m1/s1