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

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]benzamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]benzamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]benzamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]benzamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]benzamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c27-21(17-10-4-3-5-11-17)24-23-20-18-12-6-7-13-19(18)26(22(20)28)16-25-14-8-1-2-9-15-25/h3-7,10-13H,1-2,8-9,14-16H2,(H,24,27)/p+1/b23-20+