1-[bis(2-bromoethyl)amino]indol-1-ium-1-carboxylic acid

Systemtic Name: 1-[bis(2-bromoethyl)amino]indol-1-ium-1-carboxylic acid Openeye Name: 1-[bis(2-bromoethyl)amino]indol-1-ium-1-carboxylic acid CAS Name: 1-[bis(2-bromoethyl)amino]-1-indol-1-iumcarboxylic acid IUPAC Name: 1-[bis(2-bromoethyl)amino]indol-1-ium-1-carboxylic acid Traditional Name: 1-[bis(2-bromoethyl)amino]indol-1-ium-1-carboxylic acid Formula: C13H15Br2N2O2+ MolecularWeight: 391.0784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[N+]2(C(=O)O)N(CCBr)CCBr

Isomeric SMILES

C1=CC=C2C(=C1)C=C[N+]2(C(=O)O)N(CCBr)CCBr

InChI

InChI=1S/C13H14Br2N2O2/c14-6-8-16(9-7-15)17(13(18)19)10-5-11-3-1-2-4-12(11)17/h1-5,10H,6-9H2/p+1