1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(phenylcarbonyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(phenylcarbonyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-benzoyl-pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-benzoyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-benzoylpyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-benzoyl-pyrrolidin-1-ium-2-carboxamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(C(=O)C2=CC=CC=C2)C(=O)C(CC3=CN=CN3)N)C(=O)N

Isomeric SMILES

C1CC([N+](C1)(C(=O)C2=CC=CC=C2)C(=O)C(CC3=CN=CN3)N)C(=O)N

InChI

InChI=1S/C18H21N5O3/c19-14(9-13-10-21-11-22-13)18(26)23(8-4-7-15(23)16(20)24)17(25)12-5-2-1-3-6-12/h1-3,5-6,10-11,14-15H,4,7-9,19H2,(H2-,20,21,22,24)/p+1