N-[(E)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-3-carboxamide

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-3-carboxamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]pyridine-3-carboxamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-3-carboxamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]nicotinamide Formula: C20H21BrN5O2+ MolecularWeight: 443.31704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CN=CC=C4)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN5O2/c21-15-6-7-17-16(11-15)18(23-24-19(27)14-5-4-8-22-12-14)20(28)26(17)13-25-9-2-1-3-10-25/h4-8,11-12H,1-3,9-10,13H2,(H,24,27)/p+1/b23-18+