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

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-(dimethylamino)benzamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-(dimethylamino)benzamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-(1-pyrrolidin-1-iumylmethyl)-3-indolylidene]amino]-4-(dimethylamino)benzamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-(dimethylamino)benzamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-(dimethylamino)benzamide Formula: C22H25BrN5O2+ MolecularWeight: 471.3702

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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+]4CCCC4

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+]4CCCC4

InChI

InChI=1S/C22H24BrN5O2/c1-26(2)17-8-5-15(6-9-17)21(29)25-24-20-18-13-16(23)7-10-19(18)28(22(20)30)14-27-11-3-4-12-27/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,29)/p+1/b24-20+