1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(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-[(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-(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-[oxo-(1-oxo-3,4-dihydro-2H-isoquinolin-3-yl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(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-3,4-dihydro-2H-isoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H25N6O4+ MolecularWeight: 425.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2CC3=CC=CC=C3C(=O)N2)C(=O)C(CC4=CN=CN4)N)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2CC3=CC=CC=C3C(=O)N2)C(=O)C(CC4=CN=CN4)N)C(=O)N

InChI

InChI=1S/C21H24N6O4/c22-15(9-13-10-24-11-25-13)20(30)27(7-3-6-17(27)18(23)28)21(31)16-8-12-4-1-2-5-14(12)19(29)26-16/h1-2,4-5,10-11,15-17H,3,6-9,22H2,(H3-,23,24,25,26,28,29)/p+1