2-[4-(butylamino)-3,5-dimethyl-2-oxidanylidene-1,3-dihydropyrazin-4-ium-4-yl]ethanoic acid

Systemtic Name: 2-[4-(butylamino)-3,5-dimethyl-2-oxidanylidene-1,3-dihydropyrazin-4-ium-4-yl]ethanoic acid Openeye Name: 2-[4-(butylamino)-3,5-dimethyl-2-oxo-1,3-dihydropyrazin-4-ium-4-yl]acetic acid CAS Name: 2-[4-(butylamino)-3,5-dimethyl-2-oxo-1,3-dihydropyrazin-4-ium-4-yl]acetic acid IUPAC Name: 2-[4-(butylamino)-3,5-dimethyl-2-oxo-1,3-dihydropyrazin-4-ium-4-yl]acetic acid Traditional Name: 2-[4-(butylamino)-2-keto-3,5-dimethyl-1,3-dihydropyrazin-4-ium-4-yl]acetic acid Formula: C12H22N3O3+ MolecularWeight: 256.32138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN[N+]1(C(C(=O)NC=C1C)C)CC(=O)O

Isomeric SMILES

CCCCN[N+]1(C(C(=O)NC=C1C)C)CC(=O)O

InChI

InChI=1S/C12H21N3O3/c1-4-5-6-14-15(8-11(16)17)9(2)7-13-12(18)10(15)3/h7,10,14H,4-6,8H2,1-3H3,(H-,13,16,17,18)/p+1