3-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)ammonio]ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]phenoxy]propyl-dimethyl-ammonium Formula: C18H36N3O+3 MolecularWeight: 310.49794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[NH+](C)[C@H](C[NH3+])C1=CC=C(C=C1)OCCC[NH+](C)C

InChI

InChI=1S/C18H33N3O/c1-5-6-13-21(4)18(15-19)16-8-10-17(11-9-16)22-14-7-12-20(2)3/h8-11,18H,5-7,12-15,19H2,1-4H3/p+3/t18-/m1/s1