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

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

CC1CCC[NH+](C1)C(C[NH3+])C2=CC=C(C=C2)OCCC[NH+](C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=CC=C(C=C2)OCCC[NH+](C)C

InChI

InChI=1S/C19H33N3O/c1-16-6-4-12-22(15-16)19(14-20)17-7-9-18(10-8-17)23-13-5-11-21(2)3/h7-10,16,19H,4-6,11-15,20H2,1-3H3/p+3/t16-,19-/m0/s1