(3,5-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]ammonium Formula: C29H36N3O3+ MolecularWeight: 474.61444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH2+]C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4)OC

InChI

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