[1-[2-(3-methylphenoxy)ethanoyl]piperidin-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-[2-(3-methylphenoxy)ethanoyl]piperidin-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[2-(3-methylphenoxy)acetyl]-4-piperidyl]-phenethyl-ammonium CAS Name: [1-[2-(3-methylphenoxy)-1-oxoethyl]-4-piperidinyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]-phenethylazanium Traditional Name: benzyl-[1-[2-(3-methylphenoxy)acetyl]-4-piperidyl]-phenethyl-ammonium Formula: C29H35N2O2+ MolecularWeight: 443.6004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)[NH+](CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O2/c1-24-9-8-14-28(21-24)33-23-29(32)30-19-16-27(17-20-30)31(22-26-12-6-3-7-13-26)18-15-25-10-4-2-5-11-25/h2-14,21,27H,15-20,22-23H2,1H3/p+1