(E,2S)-N-methyl-5-(1-oxidanidyl-5-propan-2-yloxy-pyridin-1-ium-3-yl)pent-4-en-2-amine

Systemtic Name: (E,2S)-N-methyl-5-(1-oxidanidyl-5-propan-2-yloxy-pyridin-1-ium-3-yl)pent-4-en-2-amine Openeye Name: (E,2S)-5-(5-isopropoxy-1-oxido-pyridin-1-ium-3-yl)-N-methyl-pent-4-en-2-amine CAS Name: (E,2S)-N-methyl-5-(1-oxido-5-propan-2-yloxy-3-pyridin-1-iumyl)-4-penten-2-amine IUPAC Name: (E,2S)-N-methyl-5-(1-oxido-5-propan-2-yloxypyridin-1-ium-3-yl)pent-4-en-2-amine Traditional Name: [(E,1S)-4-(5-isopropoxy-1-oxido-pyridin-1-ium-3-yl)-1-methyl-but-3-enyl]-methyl-amine Formula: C14H22N2O2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C[N+](=CC(=C1)C=CCC(C)NC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-11(2)18-14-8-13(9-16(17)10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1