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

Systemtic Name: N-[(Z)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Openeye Name: N-[(Z)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzamide CAS Name: N-[(Z)-[5-bromo-2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]benzamide IUPAC Name: N-[(Z)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Traditional Name: N-[(Z)-[5-bromo-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=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=CC=C4)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O2/c22-16-9-10-18-17(13-16)19(23-24-20(27)15-7-3-1-4-8-15)21(28)26(18)14-25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,24,27)/p+1/b23-19-