(1-methylpyridin-1-ium-4-yl) N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynyl-carbamate iodide

Systemtic Name: (1-methylpyridin-1-ium-4-yl) N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynyl-carbamate iodide Openeye Name: (1-methylpyridin-1-ium-4-yl) N-[(1R)-1-methyl-2-phenyl-ethyl]-N-prop-2-ynyl-carbamate iodide CAS Name: N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamic acid (1-methyl-4-pyridin-1-iumyl) ester iodide IUPAC Name: (1-methylpyridin-1-ium-4-yl) N-[(2R)-1-phenylpropan-2-yl]-N-prop-2-ynylcarbamate iodide Traditional Name: N-[(1R)-1-methyl-2-phenyl-ethyl]-N-propargyl-carbamic acid (1-methylpyridin-1-ium-4-yl) ester iodide Formula: C19H21IN2O2 MolecularWeight: 436.28671

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N(CC#C)C(=O)OC2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)N(CC#C)C(=O)OC2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C19H21N2O2.HI/c1-4-12-21(16(2)15-17-8-6-5-7-9-17)19(22)23-18-10-13-20(3)14-11-18;/h1,5-11,13-14,16H,12,15H2,2-3H3;1H/q+1;/p-1/t16-;/m1./s1