(3-aminocarbonyl-5-propan-2-yl-thiophen-2-yl)-(4-azanyl-4-oxidanylidene-butanoyl)-dimethyl-azanium

Systemtic Name: (3-aminocarbonyl-5-propan-2-yl-thiophen-2-yl)-(4-azanyl-4-oxidanylidene-butanoyl)-dimethyl-azanium Openeye Name: (4-amino-4-oxo-butanoyl)-(3-carbamoyl-5-isopropyl-2-thienyl)-dimethyl-ammonium CAS Name: (4-amino-1,4-dioxobutyl)-(3-carbamoyl-5-propan-2-yl-2-thiophenyl)-dimethylammonium IUPAC Name: (4-amino-4-oxobutanoyl)-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-dimethylazanium Traditional Name: (4-amino-4-keto-butanoyl)-(3-carbamoyl-5-isopropyl-2-thienyl)-dimethyl-ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)[N+](C)(C)C(=O)CCC(=O)N)C(=O)N

Isomeric SMILES

CC(C)C1=CC(=C(S1)[N+](C)(C)C(=O)CCC(=O)N)C(=O)N

InChI

InChI=1S/C14H21N3O3S/c1-8(2)10-7-9(13(16)20)14(21-10)17(3,4)12(19)6-5-11(15)18/h7-8H,5-6H2,1-4H3,(H3-,15,16,18,20)/p+1