N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-bromanyl-benzamide

Systemtic Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-bromanyl-benzamide Openeye Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-2-bromo-benzamide CAS Name: N-[(Z)-[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-2-bromobenzamide IUPAC Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-bromobenzamide Traditional Name: N-[(Z)-[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-2-bromo-benzamide Formula: C22H24BrN4O2+ MolecularWeight: 456.35556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CC=C4Br)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=CC=C4Br)/C2=O

InChI

InChI=1S/C22H23BrN4O2/c23-18-11-5-3-9-16(18)21(28)25-24-20-17-10-4-6-12-19(17)27(22(20)29)15-26-13-7-1-2-8-14-26/h3-6,9-12H,1-2,7-8,13-15H2,(H,25,28)/p+1/b24-20-