(2R)-2-(6-azaniumylhexylazaniumyl)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(2-methyl-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-keto-4-(2-methyl-5-nitro-anilino)butyrate Formula: C17H27N4O5+ MolecularWeight: 367.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+]

InChI

InChI=1S/C17H26N4O5/c1-12-6-7-13(21(25)26)10-14(12)20-16(22)11-15(17(23)24)19-9-5-3-2-4-8-18/h6-7,10,15,19H,2-5,8-9,11,18H2,1H3,(H,20,22)(H,23,24)/p+1/t15-/m1/s1