(3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-ethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-ethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-1-ethyl-pyrrolidine-2,5-quinone Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN1C(=O)C[C@@H](C1=O)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H22N4O2/c1-2-22-16(23)11-15(18(22)24)21-9-7-12(8-10-21)17-19-13-5-3-4-6-14(13)20-17/h3-6,12,15H,2,7-11H2,1H3,(H,19,20)/p+1/t15-/m0/s1