3-[4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-[(1R)-2-ammonio-1-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-[(1R)-2-azaniumyl-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[4-[(1R)-2-ammonio-1-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]phenoxy]propyl-dimethyl-ammonium Formula: C19H36N3O+3 MolecularWeight: 322.50864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC=C(C=C2)OCCC[NH+](C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC=C(C=C2)OCCC[NH+](C)C

InChI

InChI=1S/C19H33N3O/c1-16-7-4-5-13-22(16)19(15-20)17-8-10-18(11-9-17)23-14-6-12-21(2)3/h8-11,16,19H,4-7,12-15,20H2,1-3H3/p+3/t16-,19-/m0/s1