(4-ethoxy-3-methoxy-phenyl)methyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC(=C(C=C2)OCC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC(=C(C=C2)OCC)OC

InChI

InChI=1S/C22H30N2O3/c1-6-17-8-11-19(12-9-17)23-22(25)16(3)24(4)15-18-10-13-20(27-7-2)21(14-18)26-5/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)/p+1/t16-/m0/s1