tert-butyl N-methyl-N-[(E)-5-(1-oxidanidylpyridin-1-ium-3-yl)pent-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[(E)-5-(1-oxidanidylpyridin-1-ium-3-yl)pent-4-en-2-yl]carbamate Openeye Name: tert-butyl N-methyl-N-[(E)-1-methyl-4-(1-oxidopyridin-1-ium-3-yl)but-3-enyl]carbamate CAS Name: N-methyl-N-[(E)-5-(1-oxido-3-pyridin-1-iumyl)pent-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[(E)-5-(1-oxidopyridin-1-ium-3-yl)pent-4-en-2-yl]carbamate Traditional Name: N-methyl-N-[(E)-1-methyl-4-(1-oxidopyridin-1-ium-3-yl)but-3-enyl]carbamic acid tert-butyl ester Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=C[N+](=CC=C1)[O-])N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C/C=C/C1=C[N+](=CC=C1)[O-])N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H24N2O3/c1-13(17(5)15(19)21-16(2,3)4)8-6-9-14-10-7-11-18(20)12-14/h6-7,9-13H,8H2,1-5H3/b9-6+