4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(dipropylammonio)ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(dipropylammonio)ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(dipropylazaniumyl)ethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(dipropylammonio)ethyl]-2-methoxy-6-nitro-phenolate Formula: C15H26N3O4+ MolecularWeight: 312.38464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O4/c1-4-6-17(7-5-2)13(10-16)11-8-12(18(20)21)15(19)14(9-11)22-3/h8-9,13,19H,4-7,10,16H2,1-3H3/p+1/t13-/m1/s1