N-[(Z)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-methyl-benzamide

Systemtic Name: N-[(Z)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-methyl-benzamide Openeye Name: N-[(Z)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-methyl-benzamide CAS Name: N-[(Z)-[5-bromo-2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-4-methylbenzamide IUPAC Name: N-[(Z)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-methylbenzamide Traditional Name: N-[(Z)-[5-bromo-2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-methyl-benzamide Formula: C22H24BrN4O2+ MolecularWeight: 456.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/N=C\2/C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C22H23BrN4O2/c1-15-5-7-16(8-6-15)21(28)25-24-20-18-13-17(23)9-10-19(18)27(22(20)29)14-26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,28)/p+1/b24-20-