1-(3,4-dimethoxyphenyl)-N-iodanyl-but-3-en-1-amine hydrochloride

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-iodanyl-but-3-en-1-amine hydrochloride Openeye Name: 1-(3,4-dimethoxyphenyl)-N-iodo-but-3-en-1-amine hydrochloride CAS Name: 1-(3,4-dimethoxyphenyl)-N-iodo-3-buten-1-amine hydrochloride IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-iodobut-3-en-1-amine hydrochloride Traditional Name: 1-(3,4-dimethoxyphenyl)but-3-enyl-iodo-amine hydrochloride Formula: C12H17ClINO2 MolecularWeight: 369.62635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=C)NI)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC=C)NI)OC.Cl

InChI

InChI=1S/C12H16INO2.ClH/c1-4-5-10(14-13)9-6-7-11(15-2)12(8-9)16-3;/h4,6-8,10,14H,1,5H2,2-3H3;1H