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

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-(1-pyrrolidin-1-iumylmethyl)-3-indolylidene]amino]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-2-(4-methoxyphenyl)acetamide Formula: C22H24BrN4O3+ MolecularWeight: 472.35496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N/N=C/2\C3=C(C=CC(=C3)Br)N(C2=O)C[NH+]4CCCC4

InChI

InChI=1S/C22H23BrN4O3/c1-30-17-7-4-15(5-8-17)12-20(28)24-25-21-18-13-16(23)6-9-19(18)27(22(21)29)14-26-10-2-3-11-26/h4-9,13H,2-3,10-12,14H2,1H3,(H,24,28)/p+1/b25-21+