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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-pyridin-2-ylcarbonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(pyridine-2-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[oxo(2-pyridinyl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-picolinoyl-3-piperidyl]ammonium Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C3=CC=CC=N3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C22H29N3O3/c1-24(14-11-17-9-10-20(27-2)21(15-17)28-3)18-7-6-13-25(16-18)22(26)19-8-4-5-12-23-19/h4-5,8-10,12,15,18H,6-7,11,13-14,16H2,1-3H3/p+1/t18-/m0/s1