2-[[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[1-(1-azepan-1-iumylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C24H26BrN4OS+ MolecularWeight: 498.45844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NC4=C(C5=C(S4)CCCC5)C#N)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NC4=C(C5=C(S4)CCCC5)C#N)C2=O

InChI

InChI=1S/C24H25BrN4OS/c25-16-9-10-20-18(13-16)22(24(30)29(20)15-28-11-5-1-2-6-12-28)27-23-19(14-26)17-7-3-4-8-21(17)31-23/h9-10,13H,1-8,11-12,15H2/p+1