[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl-ethyl-azanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl-ethyl-azanium Openeye Name: [3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl-ethyl-ammonium CAS Name: [3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl-ethylammonium IUPAC Name: [3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl-ethylazanium Traditional Name: [3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]-ethyl-ammonium Formula: C16H27ClN2O2+2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC[NH+]2CCCC2)OC

Isomeric SMILES

CC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC[NH+]2CCCC2)OC

InChI

InChI=1S/C16H25ClN2O2/c1-3-18-12-13-10-14(17)16(15(11-13)20-2)21-9-8-19-6-4-5-7-19/h10-11,18H,3-9,12H2,1-2H3/p+2