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

Systemtic Name: 2,4-dimethyl-5-[(2-oxidanylidene-3H-indol-1-ium-1-ylidene)methyl]-N-[2-(3-oxidanylidenepiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide Openeye Name: 2,4-dimethyl-5-[(2-oxoindolin-1-ium-1-ylidene)methyl]-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide CAS Name: 2,4-dimethyl-5-[(2-oxo-3H-indol-1-ium-1-ylidene)methyl]-N-[2-(3-oxo-1-piperazinyl)ethyl]-1H-pyrrole-3-carboxamide IUPAC Name: 2,4-dimethyl-5-[(2-oxo-3H-indol-1-ium-1-ylidene)methyl]-N-[2-(3-oxopiperazin-1-yl)ethyl]-1H-pyrrole-3-carboxamide Traditional Name: 5-[(2-ketoindolin-1-ium-1-ylidene)methyl]-N-[2-(3-ketopiperazino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NCCN2CCNC(=O)C2)C)C=[N+]3C(=O)CC4=CC=CC=C43

Isomeric SMILES

CC1=C(NC(=C1C(=O)NCCN2CCNC(=O)C2)C)C=[N+]3C(=O)CC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O3/c1-14-17(12-27-18-6-4-3-5-16(18)11-20(27)29)25-15(2)21(14)22(30)24-8-10-26-9-7-23-19(28)13-26/h3-6,12H,7-11,13H2,1-2H3,(H2,23,24,28,30)/p+1