[(1S)-2-azaniumyl-1-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-butyl-methyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-butyl-methyl-ammonium Formula: C19H36N3O+3 MolecularWeight: 322.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C(C[NH3+])C1=CC=CC=C1OCC[NH+]2CCCC2

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=CC=C1OCC[NH+]2CCCC2

InChI

InChI=1S/C19H33N3O/c1-3-4-11-21(2)18(16-20)17-9-5-6-10-19(17)23-15-14-22-12-7-8-13-22/h5-6,9-10,18H,3-4,7-8,11-16,20H2,1-2H3/p+3/t18-/m1/s1