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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(isoxazol-3-ylmethyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(3-isoxazolylmethyl)-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-[(3S)-1-(isoxazol-3-ylmethyl)-3-piperidyl]-methyl-ammonium Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=NOC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=NOC=C3

InChI

InChI=1S/C20H29N3O3/c1-22(11-8-16-6-7-19(24-2)20(13-16)25-3)18-5-4-10-23(15-18)14-17-9-12-26-21-17/h6-7,9,12-13,18H,4-5,8,10-11,14-15H2,1-3H3/p+1/t18-/m0/s1