[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl]ammonium Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+](CC=C)CC2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+](CC=C)CC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-5-11-24(15-17-9-7-6-8-10-17)16-22(25)23-14-18-12-20(27-3)21(28-4)13-19(18)26-2/h5-10,12-13H,1,11,14-16H2,2-4H3,(H,23,25)/p+1