N-[(Z)-[5-bromanyl-2-oxidanylidene-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-ylidene]amino]pyridine-4-carboxamide

Systemtic Name: N-[(Z)-[5-bromanyl-2-oxidanylidene-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[(Z)-[5-bromo-2-oxo-1-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]indolin-3-ylidene]amino]pyridine-4-carboxamide CAS Name: N-[(Z)-[5-bromo-2-oxo-1-[[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-3-indolylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[(Z)-[5-bromo-2-oxo-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[(Z)-[5-bromo-2-keto-1-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]indolin-3-ylidene]amino]isonicotinamide Formula: C25H24BrN6O2+ MolecularWeight: 520.40106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=NNC(=O)C5=CC=NC=C5)C3=O

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)/C(=N/NC(=O)C5=CC=NC=C5)/C3=O

InChI

InChI=1S/C25H23BrN6O2/c26-19-6-7-22-20(14-19)23(29-30-24(33)17-8-11-27-12-9-17)25(34)32(22)16-31-13-2-1-5-21(31)18-4-3-10-28-15-18/h3-4,6-12,14-15,21H,1-2,5,13,16H2,(H,30,33)/p+1/b29-23-/t21-/m1/s1