[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-isopropyl-ammonium CAS Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-propan-2-ylazanium Traditional Name: benzyl-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-isopropyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-5-26-20-13-12-19(14-21(20)27-6-2)23-22(25)16-24(17(3)4)15-18-10-8-7-9-11-18/h7-14,17H,5-6,15-16H2,1-4H3,(H,23,25)/p+1