N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-4-methoxy-benzamide

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromanyl-2-oxidanylidene-indol-3-ylidene]amino]-4-methoxy-benzamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxo-indolin-3-ylidene]amino]-4-methoxy-benzamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-5-bromo-2-oxo-3-indolylidene]amino]-4-methoxybenzamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-oxoindol-3-ylidene]amino]-4-methoxybenzamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-5-bromo-2-keto-indolin-3-ylidene]amino]-4-methoxy-benzamide Formula: C23H26BrN4O3+ MolecularWeight: 486.38154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H25BrN4O3/c1-31-18-9-6-16(7-10-18)22(29)26-25-21-19-14-17(24)8-11-20(19)28(23(21)30)15-27-12-4-2-3-5-13-27/h6-11,14H,2-5,12-13,15H2,1H3,(H,26,29)/p+1/b25-21+