4-bromanyl-1-(2-piperidin-1-ium-1-ylethyl)indole-2,3-dione

Systemtic Name: 4-bromanyl-1-(2-piperidin-1-ium-1-ylethyl)indole-2,3-dione Openeye Name: 4-bromo-1-(2-piperidin-1-ium-1-ylethyl)indoline-2,3-dione CAS Name: 4-bromo-1-[2-(1-piperidin-1-iumyl)ethyl]indole-2,3-dione IUPAC Name: 4-bromo-1-(2-piperidin-1-ium-1-ylethyl)indole-2,3-dione Traditional Name: 4-bromo-1-(2-piperidin-1-ium-1-ylethyl)isatin Formula: C15H18BrN2O2+ MolecularWeight: 338.21962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=C(C(=CC=C3)Br)C(=O)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=C(C(=CC=C3)Br)C(=O)C2=O

InChI

InChI=1S/C15H17BrN2O2/c16-11-5-4-6-12-13(11)14(19)15(20)18(12)10-9-17-7-2-1-3-8-17/h4-6H,1-3,7-10H2/p+1