5-[(5-bromanyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxidanylidenepiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide

Systemtic Name: 5-[(5-bromanyl-2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxidanylidenepiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide Openeye Name: 5-[(5-bromo-2-oxo-indolin-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide CAS Name: 5-[(5-bromo-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxo-1-piperazinyl)ethyl]-1H-pyrrole-3-carboxamide IUPAC Name: 5-[(5-bromo-2-oxo-3H-indol-1-ium-1-ylidene)methyl]-2,4-dimethyl-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide Traditional Name: 5-[(5-bromo-2-keto-indolin-1-ium-1-ylidene)methyl]-N-[2-(3-ketopiperazino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Formula: C22H25BrN5O3+ MolecularWeight: 487.3696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NCCN2CCNC(=O)C2)C)C=[N+]3C(=O)CC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)NCCN2CCNC(=O)C2)C)C=[N+]3C(=O)CC4=C3C=CC(=C4)Br

InChI

InChI=1S/C22H24BrN5O3/c1-13-17(11-28-18-4-3-16(23)9-15(18)10-20(28)30)26-14(2)21(13)22(31)25-6-8-27-7-5-24-19(29)12-27/h3-4,9,11H,5-8,10,12H2,1-2H3,(H2,24,25,29,31)/p+1