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

Systemtic Name: N-[(E)-[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]quinoline-2-carboxamide Openeye Name: N-[(E)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]quinoline-2-carboxamide CAS Name: N-[(E)-[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-2-quinolinecarboxamide IUPAC Name: N-[(E)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]quinoline-2-carboxamide Traditional Name: N-[(E)-[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]quinaldamide Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=NC5=CC=CC=C5C=C4)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3/C(=N\NC(=O)C4=NC5=CC=CC=C5C=C4)/C2=O

InChI

InChI=1S/C24H23N5O2/c30-23(20-13-12-17-8-2-4-10-19(17)25-20)27-26-22-18-9-3-5-11-21(18)29(24(22)31)16-28-14-6-1-7-15-28/h2-5,8-13H,1,6-7,14-16H2,(H,27,30)/p+1/b26-22+