2-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide

Systemtic Name: 2-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide Openeye Name: 2-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide CAS Name: 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide Traditional Name: 2-[4-[2-keto-2-(2-methoxyethylamino)ethyl]piperazin-4-ium-1-yl]cinchoninamide Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C19H25N5O3/c1-27-11-6-21-18(25)13-23-7-9-24(10-8-23)17-12-15(19(20)26)14-4-2-3-5-16(14)22-17/h2-5,12H,6-11,13H2,1H3,(H2,20,26)(H,21,25)/p+1