1-[1-(1,2-benzoxazol-3-yl)-4-oxidanylidene-piperidin-1-ium-1-yl]indole-2-carboxylic acid

Systemtic Name: 1-[1-(1,2-benzoxazol-3-yl)-4-oxidanylidene-piperidin-1-ium-1-yl]indole-2-carboxylic acid Openeye Name: 1-[1-(1,2-benzoxazol-3-yl)-4-oxo-piperidin-1-ium-1-yl]indole-2-carboxylic acid CAS Name: 1-[1-(1,2-benzoxazol-3-yl)-4-oxo-1-piperidin-1-iumyl]-2-indolecarboxylic acid IUPAC Name: 1-[1-(1,2-benzoxazol-3-yl)-4-oxopiperidin-1-ium-1-yl]indole-2-carboxylic acid Traditional Name: 1-(1-indoxazen-3-yl-4-keto-piperidin-1-ium-1-yl)indole-2-carboxylic acid Formula: C21H18N3O4+ MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1=O)(C2=NOC3=CC=CC=C32)N4C5=CC=CC=C5C=C4C(=O)O

Isomeric SMILES

C1C[N+](CCC1=O)(C2=NOC3=CC=CC=C32)N4C5=CC=CC=C5C=C4C(=O)O

InChI

InChI=1S/C21H17N3O4/c25-15-9-11-24(12-10-15,20-16-6-2-4-8-19(16)28-22-20)23-17-7-3-1-5-14(17)13-18(23)21(26)27/h1-8,13H,9-12H2/p+1