3,4-dimethoxy-N-[(E)-[2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(E)-[2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Openeye Name: 3,4-dimethoxy-N-[(E)-[2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzamide CAS Name: 3,4-dimethoxy-N-[(E)-[2-oxo-1-(1-pyrrolidin-1-iumylmethyl)-3-indolylidene]amino]benzamide IUPAC Name: 3,4-dimethoxy-N-[(E)-[2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Traditional Name: N-[(E)-[2-keto-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]-3,4-dimethoxy-benzamide Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/N=C/2\C3=CC=CC=C3N(C2=O)C[NH+]4CCCC4)OC

InChI

InChI=1S/C22H24N4O4/c1-29-18-10-9-15(13-19(18)30-2)21(27)24-23-20-16-7-3-4-8-17(16)26(22(20)28)14-25-11-5-6-12-25/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,24,27)/p+1/b23-20+