2-(2-methoxyphenyl)ethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(2-methoxyphenyl)ethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(2-methoxyphenyl)ethyl-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: 2-(2-methoxyphenyl)ethyl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(2-methoxyphenyl)ethyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-[2-(2-methoxyphenyl)ethyl]ammonium Formula: C29H36N3O2+ MolecularWeight: 458.61504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CC[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O2/c1-34-28-10-6-5-9-24(28)17-20-30-25-18-21-32(22-19-25)27-14-12-26(13-15-27)31-29(33)16-11-23-7-3-2-4-8-23/h2-10,12-15,25,30H,11,16-22H2,1H3,(H,31,33)/p+1