[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]methyl-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-ethoxy-phenyl]methyl-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-ethoxy-phenyl]methyl-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-ethoxy-benzyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium Formula: C18H30ClN3O3+2 MolecularWeight: 371.9021

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]CC2=CC(=C(C(=C2)Cl)OCC(=O)N)OCC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1C[NH2+]CC2=CC(=C(C(=C2)Cl)OCC(=O)N)OCC

InChI

InChI=1S/C18H28ClN3O3/c1-3-22-7-5-6-14(22)11-21-10-13-8-15(19)18(25-12-17(20)23)16(9-13)24-4-2/h8-9,14,21H,3-7,10-12H2,1-2H3,(H2,20,23)/p+2/t14-/m1/s1