5-azanyl-4-(1H-benzimidazol-2-yl)-1-piperidin-1-ium-4-yl-2H-pyrrol-3-one

Systemtic Name: 5-azanyl-4-(1H-benzimidazol-2-yl)-1-piperidin-1-ium-4-yl-2H-pyrrol-3-one Openeye Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-piperidin-1-ium-4-yl-2H-pyrrol-3-one CAS Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-(4-piperidin-1-iumyl)-2H-pyrrol-3-one IUPAC Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-piperidin-1-ium-4-yl-2H-pyrrol-3-one Traditional Name: 5-amino-4-(1H-benzimidazol-2-yl)-1-piperidin-1-ium-4-yl-2-pyrrolin-3-one Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[NH2+]CCC1N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C16H19N5O/c17-15-14(16-19-11-3-1-2-4-12(11)20-16)13(22)9-21(15)10-5-7-18-8-6-10/h1-4,10,18H,5-9,17H2,(H,19,20)/p+1