azanyl-isoquinolin-1-ylcarbonyl-methyl-[2-[[4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonyl-azanium

Systemtic Name: azanyl-isoquinolin-1-ylcarbonyl-methyl-[2-[[4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]carbonyl-azanium Openeye Name: amino-[2-[(1-formyl-3-hydroxy-3-oxo-propyl)carbamoyl]pyrrolidine-1-carbonyl]-(isoquinoline-1-carbonyl)-methyl-ammonium CAS Name: amino-[[2-[[(4-hydroxy-1,4-dioxobutan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-[1-isoquinolinyl(oxo)methyl]-methylammonium IUPAC Name: amino-[2-[(4-hydroxy-1,4-dioxobutan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]-(isoquinoline-1-carbonyl)-methylazanium Traditional Name: amino-[2-[(1-formyl-3-hydroxy-3-keto-propyl)carbamoyl]pyrrolidine-1-carbonyl]-(isoquinoline-1-carbonyl)-methyl-ammonium Formula: C21H24N5O6+ MolecularWeight: 442.44516

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(=O)C1=NC=CC2=CC=CC=C21)(C(=O)N3CCCC3C(=O)NC(CC(=O)O)C=O)N

Isomeric SMILES

C[N+](C(=O)C1=NC=CC2=CC=CC=C21)(C(=O)N3CCCC3C(=O)NC(CC(=O)O)C=O)N

InChI

InChI=1S/C21H23N5O6/c1-26(22,20(31)18-15-6-3-2-5-13(15)8-9-23-18)21(32)25-10-4-7-16(25)19(30)24-14(12-27)11-17(28)29/h2-3,5-6,8-9,12,14,16H,4,7,10-11,22H2,1H3,(H-,24,28,29,30)/p+1