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

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

CC1CC[NH+](CC1)C(C[NH3+])C2=CC=CC=C2OCCC[NH+](C)C

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC=CC=C2OCCC[NH+](C)C

InChI

InChI=1S/C19H33N3O/c1-16-9-12-22(13-10-16)18(15-20)17-7-4-5-8-19(17)23-14-6-11-21(2)3/h4-5,7-8,16,18H,6,9-15,20H2,1-3H3/p+3/t18-/m1/s1