1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(7-nitro-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(7-nitro-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(7-nitro-1-oxo-3,4-dihydro-2H-isoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[(7-nitro-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)-oxomethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(7-nitro-1-oxo-3,4-dihydro-2H-isoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(1-keto-7-nitro-3,4-dihydro-2H-isoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H24N7O6+ MolecularWeight: 470.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)C(=O)C(CC4=CN=CN4)N)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)C(=O)C(CC4=CN=CN4)N)C(=O)N

InChI

InChI=1S/C21H23N7O6/c22-15(7-12-9-24-10-25-12)20(31)28(5-1-2-17(28)18(23)29)21(32)16-6-11-3-4-13(27(33)34)8-14(11)19(30)26-16/h3-4,8-10,15-17H,1-2,5-7,22H2,(H3-,23,24,25,26,29,30)/p+1