4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-bromanyl-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-bromanyl-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(dipropylammonio)ethyl]-2-bromo-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(dipropylammonio)ethyl]-2-bromophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-bromophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(dipropylammonio)ethyl]-2-bromo-phenolate Formula: C14H24BrN2O+ MolecularWeight: 316.25716

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C(C[NH3+])C1=CC(=C(C=C1)[O-])Br

Isomeric SMILES

CCC[NH+](CCC)[C@H](C[NH3+])C1=CC(=C(C=C1)[O-])Br

InChI

InChI=1S/C14H23BrN2O/c1-3-7-17(8-4-2)13(10-16)11-5-6-14(18)12(15)9-11/h5-6,9,13,18H,3-4,7-8,10,16H2,1-2H3/p+1/t13-/m1/s1