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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperidin-1-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-benzyl-piperidin-1-ium Formula: C27H32NO2+ MolecularWeight: 402.54848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO2/c1-29-26-13-12-25(19-27(26)30-21-24-10-6-3-7-11-24)20-28-16-14-23(15-17-28)18-22-8-4-2-5-9-22/h2-13,19,23H,14-18,20-21H2,1H3/p+1