(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Systemtic Name: (3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Openeye Name: (3-chloro-5-ethoxy-4-methoxy-phenyl)methyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium CAS Name: (3-chloro-5-ethoxy-4-methoxyphenyl)methyl-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: (3-chloro-5-ethoxy-4-methoxyphenyl)methyl-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Traditional Name: (3-chloro-5-ethoxy-4-methoxy-benzyl)-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium Formula: C17H29ClN2O2+2 MolecularWeight: 328.87736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O2/c1-4-20-8-6-7-14(20)12-19-11-13-9-15(18)17(21-3)16(10-13)22-5-2/h9-10,14,19H,4-8,11-12H2,1-3H3/p+2/t14-/m0/s1