(3S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-(4-benzoxy-3-methoxy-benzyl)-3-methyl-piperidin-1-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27NO2/c1-17-7-6-12-22(14-17)15-19-10-11-20(21(13-19)23-2)24-16-18-8-4-3-5-9-18/h3-5,8-11,13,17H,6-7,12,14-16H2,1-2H3/p+1/t17-/m0/s1