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

Systemtic Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]pyridine-3-carboxamide Openeye Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]pyridine-3-carboxamide CAS Name: N-[[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-3-pyridinecarboxamide IUPAC Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]pyridine-3-carboxamide Traditional Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]nicotinamide 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=CN=CC=C4)C2=O

Isomeric SMILES

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

InChI

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