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

Systemtic Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H28N4O3/c1-31-19-12-10-18(11-13-19)16-22(29)25-26-23-20-8-4-5-9-21(20)28(24(23)30)17-27-14-6-2-3-7-15-27/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,25,29)/p+1