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

Systemtic Name: N-[(E)-[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-3-carboxamide Openeye Name: N-[(E)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]pyridine-3-carboxamide CAS Name: N-[(E)-[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]pyridine-3-carboxamide Traditional Name: N-[(E)-[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]nicotinamide 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=CN=CC=C4)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c26-19(15-7-6-10-21-13-15)23-22-18-16-8-2-3-9-17(16)25(20(18)27)14-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,23,26)/p+1/b22-18+