7-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 7-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 7-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: 7-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 7-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 4-keto-7-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1H-quinoline-3-carboxamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H21N3O3/c1-12-2-3-13-15(10-12)19-11-14(16(13)21)17(22)18-4-5-20-6-8-23-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,18,22)(H,19,21)/p+1