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

Systemtic Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]pyridine-4-carboxamide CAS Name: N-[[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]isonicotinamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=NC=C4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=NC=C4)C2=O

InChI

InChI=1S/C21H23N5O2/c27-20(16-9-11-22-12-10-16)24-23-19-17-7-3-4-8-18(17)26(21(19)28)15-25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,24,27)/p+1