2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium Traditional Name: homoveratryl-[2-keto-2-(propargylamino)ethyl]-methyl-ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-5-9-17-16(19)12-18(2)10-8-13-6-7-14(20-3)15(11-13)21-4/h1,6-7,11H,8-10,12H2,2-4H3,(H,17,19)/p+1