N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-imidazol-1-id-4-yl-1-oxidanylidene-propan-2-yl]-1-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: N-[1-(2-aminocarbonylpyrrolidin-1-yl)-3-imidazol-1-id-4-yl-1-oxidanylidene-propan-2-yl]-1-methyl-piperidin-1-ium-3-carboxamide Openeye Name: N-[2-(2-carbamoylpyrrolidin-1-yl)-1-(imidazol-1-id-4-ylmethyl)-2-oxo-ethyl]-1-methyl-piperidin-1-ium-3-carboxamide CAS Name: N-[1-(2-carbamoyl-1-pyrrolidinyl)-3-(4-imidazol-1-idyl)-1-oxopropan-2-yl]-1-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: N-[1-(2-carbamoylpyrrolidin-1-yl)-3-imidazol-1-id-4-yl-1-oxopropan-2-yl]-1-methylpiperidin-1-ium-3-carboxamide Traditional Name: N-[2-(2-carbamoylpyrrolidino)-1-(imidazol-1-id-4-ylmethyl)-2-keto-ethyl]-1-methyl-piperidin-1-ium-3-carboxamide Formula: C18H28N6O3 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)NC(CC2=C[N-]C=N2)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

C[NH+]1CCCC(C1)C(=O)NC(CC2=C[N-]C=N2)C(=O)N3CCCC3C(=O)N

InChI

InChI=1S/C18H28N6O3/c1-23-6-2-4-12(10-23)17(26)22-14(8-13-9-20-11-21-13)18(27)24-7-3-5-15(24)16(19)25/h9,11-12,14-15H,2-8,10H2,1H3,(H4,19,20,21,22,25,26)