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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(3-phenylpropioloyl)-3-piperidyl]ammonium Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-26(17-15-21-11-13-23(29-2)24(18-21)30-3)22-10-7-16-27(19-22)25(28)14-12-20-8-5-4-6-9-20/h4-6,8-9,11,13,18,22H,7,10,15-17,19H2,1-3H3/p+1/t22-/m0/s1