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

Systemtic Name: 2-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)ammonio]ethyl]-2-methoxy-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]-2-methoxyphenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]-2-methoxyphenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]-2-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=CC(=C(C=C1)OCC[NH+](C)C)OC

Isomeric SMILES

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

InChI

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