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

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

Systemtic Name:4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-nitro-phenolate
Openeye Name:4-[(1S)-2-azaniumyl-1-(dipropylammonio)ethyl]-2-nitro-phenolate
CAS Name:4-[(1S)-2-ammonio-1-(dipropylammonio)ethyl]-2-nitrophenolate
IUPAC Name:4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-nitrophenolate
Traditional Name:4-[(1S)-2-ammonio-1-(dipropylammonio)ethyl]-2-nitro-phenolate
Formula: C14H24N3O3+
MolecularWeight: 282.35866
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H23N3O3/c1-3-7-16(8-4-2)13(10-15)11-5-6-14(18)12(9-11)17(19)20/h5-6,9,13,18H,3-4,7-8,10,15H2,1-2H3/p+1/t13-/m1/s1


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