1-[[bis(2-bromoethyl)amino]-(phenylcarbonyl)amino]-1-methyl-indol-1-ium-4-carboxylic acid

Systemtic Name: 1-[[bis(2-bromoethyl)amino]-(phenylcarbonyl)amino]-1-methyl-indol-1-ium-4-carboxylic acid Openeye Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methyl-indol-1-ium-4-carboxylic acid CAS Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methyl-4-indol-1-iumcarboxylic acid IUPAC Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methylindol-1-ium-4-carboxylic acid Traditional Name: 1-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methyl-indol-1-ium-4-carboxylic acid Formula: C21H22Br2N3O3+ MolecularWeight: 524.22568

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC2=C(C=CC=C21)C(=O)O)N(C(=O)C3=CC=CC=C3)N(CCBr)CCBr

Isomeric SMILES

C[N+]1(C=CC2=C(C=CC=C21)C(=O)O)N(C(=O)C3=CC=CC=C3)N(CCBr)CCBr

InChI

InChI=1S/C21H21Br2N3O3/c1-26(15-10-17-18(21(28)29)8-5-9-19(17)26)25(24(13-11-22)14-12-23)20(27)16-6-3-2-4-7-16/h2-10,15H,11-14H2,1H3/p+1