aminocarbonyl (4Z)-4-aminocarbonyloxy-2-(6-azanyl-2,4-dimethyl-isoquinolin-2-ium-1-yl)-4-hydroxyimino-butanoate

Systemtic Name: aminocarbonyl (4Z)-4-aminocarbonyloxy-2-(6-azanyl-2,4-dimethyl-isoquinolin-2-ium-1-yl)-4-hydroxyimino-butanoate Openeye Name: carbamoyl (4Z)-2-(6-amino-2,4-dimethyl-isoquinolin-2-ium-1-yl)-4-carbamoyloxy-4-hydroxyimino-butanoate CAS Name: (4Z)-2-(6-amino-2,4-dimethyl-1-isoquinolin-2-iumyl)-4-carbamoyloxy-4-hydroxyiminobutanoic acid carbamoyl ester IUPAC Name: carbamoyl (4Z)-2-(6-amino-2,4-dimethylisoquinolin-2-ium-1-yl)-4-carbamoyloxy-4-hydroxyiminobutanoate Traditional Name: (4Z)-2-(6-amino-2,4-dimethyl-isoquinolin-2-ium-1-yl)-4-carbamoyloxy-4-hydroximino-butyric acid carbamoyl ester Formula: C17H20N5O6+ MolecularWeight: 390.3706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C2=C1C=C(C=C2)N)C(CC(=NO)OC(=O)N)C(=O)OC(=O)N)C

Isomeric SMILES

CC1=C[N+](=C(C2=C1C=C(C=C2)N)C(C/C(=N/O)/OC(=O)N)C(=O)OC(=O)N)C

InChI

InChI=1S/C17H19N5O6/c1-8-7-22(2)14(10-4-3-9(18)5-11(8)10)12(15(23)28-17(20)25)6-13(21-26)27-16(19)24/h3-5,7,12,18H,6H2,1-2H3,(H5,19,20,24,25,26)/p+1/b21-13-