2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)ammonio]ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]-6-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]-6-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]-6-methoxy-phenoxy]ethyl-dimethyl-ammonium Formula: C18H36N3O2+3 MolecularWeight: 326.49734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O2/c1-6-7-11-21(4)16(14-19)15-9-8-10-17(22-5)18(15)23-13-12-20(2)3/h8-10,16H,6-7,11-14,19H2,1-5H3/p+3/t16-/m1/s1