[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: [2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-(2,5-diethoxyanilino)-2-oxo-ethyl]ammonium CAS Name: [2-(2,5-diethoxyanilino)-2-oxoethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-(2,5-diethoxyanilino)-2-keto-ethyl]ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+](CC=C)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)C[NH+](CC=C)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-4-14-24(16-18-10-8-7-9-11-18)17-22(25)23-20-15-19(26-5-2)12-13-21(20)27-6-3/h4,7-13,15H,1,5-6,14,16-17H2,2-3H3,(H,23,25)/p+1