(2S)-2-(6-azaniumylhexylazaniumyl)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(6-azaniumylhexylazaniumyl)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(6-azaniumylhexylammonio)-4-[4-(dimethylamino)anilino]-4-oxo-butanoate CAS Name: (2S)-2-(6-ammoniohexylammonio)-4-[4-(dimethylamino)anilino]-4-oxobutanoate IUPAC Name: (2S)-2-(6-azaniumylhexylazaniumyl)-4-[4-(dimethylamino)anilino]-4-oxobutanoate Traditional Name: (2S)-2-(6-ammoniohexylammonio)-4-[4-(dimethylamino)anilino]-4-keto-butyrate Formula: C18H31N4O3+ MolecularWeight: 351.46374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O3/c1-22(2)15-9-7-14(8-10-15)21-17(23)13-16(18(24)25)20-12-6-4-3-5-11-19/h7-10,16,20H,3-6,11-13,19H2,1-2H3,(H,21,23)(H,24,25)/p+1/t16-/m0/s1