2-[3-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[3-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[3-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[3-[(1R)-2-ammonio-1-(1-piperidin-1-iumyl)ethyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[3-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-ylethyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[3-[(1R)-2-ammonio-1-piperidin-1-ium-1-yl-ethyl]phenoxy]ethyl-diethyl-ammonium Formula: C19H36N3O+3 MolecularWeight: 322.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC=CC(=C1)C(C[NH3+])[NH+]2CCCCC2

Isomeric SMILES

CC[NH+](CC)CCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C19H33N3O/c1-3-21(4-2)13-14-23-18-10-8-9-17(15-18)19(16-20)22-11-6-5-7-12-22/h8-10,15,19H,3-7,11-14,16,20H2,1-2H3/p+3/t19-/m0/s1