N-[(E)-[2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiophene-2-carboxamide

Systemtic Name: N-[(E)-[2-oxidanylidene-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiophene-2-carboxamide Openeye Name: N-[(E)-[2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]thiophene-2-carboxamide CAS Name: N-[(E)-[2-oxo-1-(1-pyrrolidin-1-iumylmethyl)-3-indolylidene]amino]-2-thiophenecarboxamide IUPAC Name: N-[(E)-[2-oxo-1-(pyrrolidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiophene-2-carboxamide Traditional Name: N-[(E)-[2-keto-1-(pyrrolidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]thiophene-2-carboxamide Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CS4)C2=O

Isomeric SMILES

C1CC[NH+](C1)CN2C3=CC=CC=C3/C(=N\NC(=O)C4=CC=CS4)/C2=O

InChI

InChI=1S/C18H18N4O2S/c23-17(15-8-5-11-25-15)20-19-16-13-6-1-2-7-14(13)22(18(16)24)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,23)/p+1/b19-16+