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

Systemtic Name: 3-[3-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[(1S)-2-ammonio-1-(4-methyl-1-piperidin-1-iumyl)ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[(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=C2)OCCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3O/c1-16-8-11-22(12-9-16)19(15-20)17-6-4-7-18(14-17)23-13-5-10-21(2)3/h4,6-7,14,16,19H,5,8-13,15,20H2,1-3H3/p+3/t19-/m1/s1