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

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-(dimethylamino)benzamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-(dimethylamino)benzamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-4-(dimethylamino)benzamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-(dimethylamino)benzamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-(dimethylamino)benzamide Formula: C23H27BrN5O2+ MolecularWeight: 485.39678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H26BrN5O2/c1-27(2)18-9-6-16(7-10-18)22(30)26-25-21-19-14-17(24)8-11-20(19)29(23(21)31)15-28-12-4-3-5-13-28/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,30)/p+1/b25-21+