N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-[(1S)-2-[(2S)-2-carbamoylpyrrolidino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C18H23N6O3+ MolecularWeight: 371.41362

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N

InChI

InChI=1S/C18H22N6O3/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/h2,4,6,9-11,14-15H,3,5,7-8H2,1H3,(H3-,19,20,21,22,25,26)/p+1/t14-,15-/m0/s1