(2R)-2-(6-azaniumylhexylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(1-naphthylamino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(1-naphthalenylamino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(naphthalen-1-ylamino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-keto-4-(1-naphthylamino)butyrate Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+]

InChI

InChI=1S/C20H27N3O3/c21-12-5-1-2-6-13-22-18(20(25)26)14-19(24)23-17-11-7-9-15-8-3-4-10-16(15)17/h3-4,7-11,18,22H,1-2,5-6,12-14,21H2,(H,23,24)(H,25,26)/p+1/t18-/m1/s1