3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-(4-benzoxybenzyl)piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O2/c29-26(28-17-4-5-18-28)15-12-22-9-6-16-27(19-22)20-23-10-13-25(14-11-23)30-21-24-7-2-1-3-8-24/h1-3,7-8,10-11,13-14,22H,4-6,9,12,15-21H2/p+1/t22-/m1/s1