2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[3-(4-pyridyl)propanoyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1-oxo-3-pyridin-4-ylpropyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[3-(4-pyridyl)propanoyl]-3-piperidyl]ammonium Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)CCC3=CC=NC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)CCC3=CC=NC=C3

InChI

InChI=1S/C24H33N3O3/c1-26(16-12-20-6-8-22(29-2)23(17-20)30-3)21-5-4-15-27(18-21)24(28)9-7-19-10-13-25-14-11-19/h6,8,10-11,13-14,17,21H,4-5,7,9,12,15-16,18H2,1-3H3/p+1/t21-/m0/s1