[(1S)-2-azaniumyl-1-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-diethyl-ammonium Formula: C19H36N3O+3 MolecularWeight: 322.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=CC(=CC=C1)OCC[NH+]2CCCCC2

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC(=CC=C1)OCC[NH+]2CCCCC2

InChI

InChI=1S/C19H33N3O/c1-3-22(4-2)19(16-20)17-9-8-10-18(15-17)23-14-13-21-11-6-5-7-12-21/h8-10,15,19H,3-7,11-14,16,20H2,1-2H3/p+3/t19-/m1/s1