2-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[(3-bromo-4-butoxy-5-methoxy-phenyl)methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[(3-bromo-4-butoxy-5-methoxyphenyl)methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[(3-bromo-4-butoxy-5-methoxyphenyl)methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[(3-bromo-4-butoxy-5-methoxy-benzyl)ammonio]ethyl-dimethyl-ammonium Formula: C16H29BrN2O2+2 MolecularWeight: 361.31766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CC[NH+](C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CC[NH+](C)C)OC

InChI

InChI=1S/C16H27BrN2O2/c1-5-6-9-21-16-14(17)10-13(11-15(16)20-4)12-18-7-8-19(2)3/h10-11,18H,5-9,12H2,1-4H3/p+2