2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1R)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2R)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]azanium Traditional Name: homoveratryl-[(1R)-2-keto-1-methyl-2-(propargylamino)ethyl]ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

C[C@H](C(=O)NCC#C)[NH2+]CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H22N2O3/c1-5-9-18-16(19)12(2)17-10-8-13-6-7-14(20-3)15(11-13)21-4/h1,6-7,11-12,17H,8-10H2,2-4H3,(H,18,19)/p+1/t12-/m1/s1