bis(2-cyanoethyl)-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]azanium

Systemtic Name: bis(2-cyanoethyl)-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]azanium Openeye Name: (5-allyl-2-hydroxy-3-methoxy-phenyl)methyl-bis(2-cyanoethyl)ammonium CAS Name: bis(2-cyanoethyl)-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]azanium Traditional Name: (5-allyl-2-hydroxy-3-methoxy-benzyl)-bis(2-cyanoethyl)ammonium Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+](CCC#N)CCC#N)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+](CCC#N)CCC#N)CC=C

InChI

InChI=1S/C17H21N3O2/c1-3-6-14-11-15(17(21)16(12-14)22-2)13-20(9-4-7-18)10-5-8-19/h3,11-12,21H,1,4-6,9-10,13H2,2H3/p+1