butyl-[[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl]azanium

Systemtic Name: butyl-[[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methyl]azanium Openeye Name: [4-(2-anilino-2-oxo-ethoxy)-3-ethoxy-phenyl]methyl-butyl-ammonium CAS Name: [4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methyl-butylammonium IUPAC Name: [4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methyl-butylazanium Traditional Name: [4-(2-anilino-2-keto-ethoxy)-3-ethoxy-benzyl]-butyl-ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2)OCC

Isomeric SMILES

CCCC[NH2+]CC1=CC(=C(C=C1)OCC(=O)NC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H28N2O3/c1-3-5-13-22-15-17-11-12-19(20(14-17)25-4-2)26-16-21(24)23-18-9-7-6-8-10-18/h6-12,14,22H,3-5,13,15-16H2,1-2H3,(H,23,24)/p+1