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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(phenylmethyl)carbamoyl]piperidin-3-yl]azanium Openeye Name: [(3S)-1-(benzylcarbamoyl)-3-piperidyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo-[(phenylmethyl)amino]methyl]-3-piperidinyl]ammonium IUPAC Name: [(3S)-1-(benzylcarbamoyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [(3S)-1-(benzylcarbamoyl)-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C24H34N3O3+ MolecularWeight: 412.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3/c1-26(15-13-19-11-12-22(29-2)23(16-19)30-3)21-10-7-14-27(18-21)24(28)25-17-20-8-5-4-6-9-20/h4-6,8-9,11-12,16,21H,7,10,13-15,17-18H2,1-3H3,(H,25,28)/p+1/t21-/m0/s1