N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]pyridine-4-carboxamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]isonicotinamide Formula: C21H23BrN5O2+ MolecularWeight: 457.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NNC(=O)C4=CC=NC=C4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)/C(=N\NC(=O)C4=CC=NC=C4)/C2=O

InChI

InChI=1S/C21H22BrN5O2/c22-16-5-6-18-17(13-16)19(24-25-20(28)15-7-9-23-10-8-15)21(29)27(18)14-26-11-3-1-2-4-12-26/h5-10,13H,1-4,11-12,14H2,(H,25,28)/p+1/b24-19+