ethyl 4-[[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]benzoate Openeye Name: ethyl 4-[[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]benzoate CAS Name: 4-[[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]benzoate Traditional Name: 4-[[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]benzoic acid ethyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H27N3O3/c1-2-30-24(29)18-11-13-19(14-12-18)25-22-20-9-5-6-10-21(20)27(23(22)28)17-26-15-7-3-4-8-16-26/h5-6,9-14H,2-4,7-8,15-17H2,1H3/p+1