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

Systemtic Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]furan-2-carboxamide Openeye Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]furan-2-carboxamide CAS Name: N-[[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-2-furancarboxamide IUPAC Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]furan-2-carboxamide Traditional Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-2-furamide Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CO4)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CO4)C2=O

InChI

InChI=1S/C20H22N4O3/c25-19(17-10-7-13-27-17)22-21-18-15-8-3-4-9-16(15)24(20(18)26)14-23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,22,25)/p+1