(2R)-4-(1,3-benzodioxol-5-ylamino)-2-(butylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-2-(butylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-2-(butylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-2-(butylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-2-(butylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(1,3-benzodioxol-5-ylamino)-2-(butylammonio)-4-keto-butyrate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(CC(=O)NC1=CC2=C(C=C1)OCO2)C(=O)[O-]

Isomeric SMILES

CCCC[NH2+][C@H](CC(=O)NC1=CC2=C(C=C1)OCO2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-2-3-6-16-11(15(19)20)8-14(18)17-10-4-5-12-13(7-10)22-9-21-12/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1