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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(phenethylcarbamoyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo-(phenethylamino)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(phenethylcarbamoyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(phenethylcarbamoyl)-3-piperidyl]ammonium Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O3/c1-27(17-14-21-11-12-23(30-2)24(18-21)31-3)22-10-7-16-28(19-22)25(29)26-15-13-20-8-5-4-6-9-20/h4-6,8-9,11-12,18,22H,7,10,13-17,19H2,1-3H3,(H,26,29)/p+1/t22-/m0/s1