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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(oxan-4-ylcarbonyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(tetrahydropyran-4-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[4-oxanyl(oxo)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(oxane-4-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(tetrahydropyran-4-carbonyl)-3-piperidyl]ammonium Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3CCOCC3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3CCOCC3

InChI

InChI=1S/C22H34N2O4/c1-23(12-8-17-6-7-20(26-2)21(15-17)27-3)19-5-4-11-24(16-19)22(25)18-9-13-28-14-10-18/h6-7,15,18-19H,4-5,8-14,16H2,1-3H3/p+1/t19-/m0/s1