2-(4-ethoxyphenoxy)ethyl-[(2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azanium

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl-[(2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azanium Openeye Name: 2-(4-ethoxyphenoxy)ethyl-[(1R)-3-(3-methoxyanilino)-1-methyl-3-oxo-propyl]ammonium CAS Name: 2-(4-ethoxyphenoxy)ethyl-[(2R)-4-(3-methoxyanilino)-4-oxobutan-2-yl]ammonium IUPAC Name: 2-(4-ethoxyphenoxy)ethyl-[(2R)-4-(3-methoxyanilino)-4-oxobutan-2-yl]azanium Traditional Name: 2-(4-ethoxyphenoxy)ethyl-[(1R)-3-keto-3-(m-anisidino)-1-methyl-propyl]ammonium Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC[NH2+]C(C)CC(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC[NH2+][C@H](C)CC(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C21H28N2O4/c1-4-26-18-8-10-19(11-9-18)27-13-12-22-16(2)14-21(24)23-17-6-5-7-20(15-17)25-3/h5-11,15-16,22H,4,12-14H2,1-3H3,(H,23,24)/p+1/t16-/m1/s1