1-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-carboxamide

Systemtic Name: 1-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-carboxamide Openeye Name: 1-(1H-benzimidazol-2-ylmethyl)-5-isobutyl-3-methoxy-4-oxido-6-oxo-pyrazin-4-ium-2-carboxamide CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-2-pyrazin-4-iumcarboxamide IUPAC Name: 1-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-2-carboxamide Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-5-isobutyl-6-keto-3-methoxy-4-oxido-pyrazin-4-ium-2-carboxamide Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N(C1=O)CC2=NC3=CC=CC=C3N2)C(=O)N)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)CC2=NC3=CC=CC=C3N2)C(=O)N)OC)[O-]

InChI

InChI=1S/C18H21N5O4/c1-10(2)8-13-17(25)22(15(16(19)24)18(27-3)23(13)26)9-14-20-11-6-4-5-7-12(11)21-14/h4-7,10H,8-9H2,1-3H3,(H2,19,24)(H,20,21)