(phenylmethyl) N-prop-2-enyl-N-[(1S)-1-pyridin-1-ium-3-ylbut-3-enyl]carbamate chloride

Systemtic Name: (phenylmethyl) N-prop-2-enyl-N-[(1S)-1-pyridin-1-ium-3-ylbut-3-enyl]carbamate chloride Openeye Name: benzyl N-allyl-N-[(1S)-1-pyridin-1-ium-3-ylbut-3-enyl]carbamate chloride CAS Name: N-prop-2-enyl-N-[(1S)-1-(3-pyridin-1-iumyl)but-3-enyl]carbamic acid (phenylmethyl) ester chloride IUPAC Name: benzyl N-prop-2-enyl-N-[(1S)-1-pyridin-1-ium-3-ylbut-3-enyl]carbamate chloride Traditional Name: N-allyl-N-[(1S)-1-pyridin-1-ium-3-ylbut-3-enyl]carbamic acid benzyl ester chloride Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=C[NH+]=CC=C1)N(CC=C)C(=O)OCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C=CC[C@@H](C1=C[NH+]=CC=C1)N(CC=C)C(=O)OCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C20H22N2O2.ClH/c1-3-9-19(18-12-8-13-21-15-18)22(14-4-2)20(23)24-16-17-10-6-5-7-11-17;/h3-8,10-13,15,19H,1-2,9,14,16H2;1H/t19-;/m0./s1