1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-[(2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl)carbonyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methyl-1-oxo-3,4-dihydroisoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-3-yl)-oxomethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(2-methyl-1-oxo-3,4-dihydroisoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(1-keto-2-methyl-3,4-dihydroisoquinoline-3-carbonyl)pyrrolidin-1-ium-2-carboxamide Formula: C22H27N6O4+ MolecularWeight: 439.48758

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC2=CC=CC=C2C1=O)C(=O)[N+]3(CCCC3C(=O)N)C(=O)C(CC4=CN=CN4)N

Isomeric SMILES

CN1C(CC2=CC=CC=C2C1=O)C(=O)[N+]3(CCCC3C(=O)N)C(=O)C(CC4=CN=CN4)N

InChI

InChI=1S/C22H26N6O4/c1-27-17(9-13-5-2-3-6-15(13)20(27)30)22(32)28(8-4-7-18(28)19(24)29)21(31)16(23)10-14-11-25-12-26-14/h2-3,5-6,11-12,16-18H,4,7-10,23H2,1H3,(H2-,24,25,26,29)/p+1