N-[(2S)-1-phenylmethoxybut-3-en-2-yl]pyridin-1-ium-1-amine iodide

Systemtic Name: N-[(2S)-1-phenylmethoxybut-3-en-2-yl]pyridin-1-ium-1-amine iodide Openeye Name: N-[(1S)-1-(benzyloxymethyl)allyl]pyridin-1-ium-1-amine iodide CAS Name: N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-1-pyridin-1-iumamine iodide IUPAC Name: N-[(2S)-1-phenylmethoxybut-3-en-2-yl]pyridin-1-ium-1-amine iodide Traditional Name: [(1S)-1-(benzoxymethyl)allyl]-pyridin-1-ium-1-yl-amine iodide Formula: C16H19IN2O MolecularWeight: 382.23933

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(COCC1=CC=CC=C1)N[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

C=C[C@@H](COCC1=CC=CC=C1)N[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H19N2O.HI/c1-2-16(17-18-11-7-4-8-12-18)14-19-13-15-9-5-3-6-10-15;/h2-12,16-17H,1,13-14H2;1H/q+1;/p-1/t16-;/m0./s1