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

Systemtic Name: 4-bromanyl-N-[(Z)-[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Openeye Name: 4-bromo-N-[(Z)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzamide CAS Name: 4-bromo-N-[(Z)-[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]benzamide IUPAC Name: 4-bromo-N-[(Z)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Traditional Name: 4-bromo-N-[(Z)-[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzamide Formula: C21H22BrN4O2+ MolecularWeight: 442.32898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=C(C=C4)Br)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3/C(=N/NC(=O)C4=CC=C(C=C4)Br)/C2=O

InChI

InChI=1S/C21H21BrN4O2/c22-16-10-8-15(9-11-16)20(27)24-23-19-17-6-2-3-7-18(17)26(21(19)28)14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H,24,27)/p+1/b23-19-