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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(prop-2-enylcarbamoyl)piperidin-3-yl]azanium Openeye Name: [(3S)-1-(allylcarbamoyl)-3-piperidyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo-(prop-2-enylamino)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(prop-2-enylcarbamoyl)piperidin-3-yl]azanium Traditional Name: [(3S)-1-(allylcarbamoyl)-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-5-11-21-20(24)23-12-6-7-17(15-23)22(2)13-10-16-8-9-18(25-3)19(14-16)26-4/h5,8-9,14,17H,1,6-7,10-13,15H2,2-4H3,(H,21,24)/p+1/t17-/m0/s1