N-[(E)-[5-bromanyl-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]-2-chloranyl-benzamide

Systemtic Name: N-[(E)-[5-bromanyl-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]-2-chloranyl-benzamide Openeye Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]-2-chloro-benzamide CAS Name: N-[(E)-[5-bromo-1-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-oxo-3-indolylidene]amino]-2-chlorobenzamide IUPAC Name: N-[(E)-[5-bromo-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]-2-chlorobenzamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indolin-3-ylidene]amino]-2-chloro-benzamide Formula: C21H22BrClN5O2+ MolecularWeight: 491.78868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=CC=C4Cl)C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C3=C(C=C(C=C3)Br)/C(=N\NC(=O)C4=CC=CC=C4Cl)/C2=O

InChI

InChI=1S/C21H21BrClN5O2/c1-26-8-10-27(11-9-26)13-28-18-7-6-14(22)12-16(18)19(21(28)30)24-25-20(29)15-4-2-3-5-17(15)23/h2-7,12H,8-11,13H2,1H3,(H,25,29)/p+1/b24-19+