N-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-4-carboxamide

Systemtic Name: N-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-4-carboxamide Openeye Name: N-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]pyridine-4-carboxamide CAS Name: N-[[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-4-pyridinecarboxamide IUPAC Name: N-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-4-carboxamide Traditional Name: N-[[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]isonicotinamide Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c26-19(15-8-10-21-11-9-15)23-22-18-16-6-2-3-7-17(16)25(20(18)27)14-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2,(H,23,26)/p+1