(2,3-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (2,3-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (2,3-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (2,3-dimethoxyphenyl)methyl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (2,3-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]-o-veratryl-ammonium Formula: C29H36N3O3+ MolecularWeight: 474.61444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3/c1-34-27-10-6-9-23(29(27)35-2)21-30-24-17-19-32(20-18-24)26-14-12-25(13-15-26)31-28(33)16-11-22-7-4-3-5-8-22/h3-10,12-15,24,30H,11,16-21H2,1-2H3,(H,31,33)/p+1