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

Systemtic Name: N-[(E)-[5-bromanyl-2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-methoxy-benzamide Openeye Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-methoxy-benzamide CAS Name: N-[(E)-[5-bromo-2-oxo-1-(1-pyrrolidin-1-iumylmethyl)-3-indolylidene]amino]-4-methoxybenzamide IUPAC Name: N-[(E)-[5-bromo-2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]-4-methoxybenzamide Traditional Name: N-[(E)-[5-bromo-2-keto-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-4-methoxy-benzamide Formula: C21H22BrN4O3+ MolecularWeight: 458.32838

Click to see the large picture

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+]4CCCC4

Isomeric SMILES

COC1=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/C21H21BrN4O3/c1-29-16-7-4-14(5-8-16)20(27)24-23-19-17-12-15(22)6-9-18(17)26(21(19)28)13-25-10-2-3-11-25/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,27)/p+1/b23-19+