[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-[(1R)-1-phenylethyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-5-25-19-13-12-18(14-20(19)26-6-2)22-21(24)15-23(4)16(3)17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3,(H,22,24)/p+1/t16-/m1/s1