6-[4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-[2-(3,4-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-[2-(3,4-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-[2-(3,4-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]nicotinamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(=O)N)C

InChI

InChI=1S/C20H25N5O2/c1-14-3-5-17(11-15(14)2)23-19(26)13-24-7-9-25(10-8-24)18-6-4-16(12-22-18)20(21)27/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,27)(H,23,26)/p+1