[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-ethoxy-phenyl]methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-ethoxy-benzyl]-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Cl)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Cl)OCC(=O)N

InChI

InChI=1S/C21H24ClN3O3/c1-2-27-19-10-14(9-17(22)21(19)28-13-20(23)26)11-24-8-7-15-12-25-18-6-4-3-5-16(15)18/h3-6,9-10,12,24-25H,2,7-8,11,13H2,1H3,(H2,23,26)/p+1