N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide

Systemtic Name: N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide Openeye Name: N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide CAS Name: N'-[1-(2-methyl-1-oxopropyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[2-(4-morpholin-4-iumyl)ethyl]oxamide IUPAC Name: N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide Traditional Name: N'-(1-isobutyryl-3,4-dihydro-2H-quinolin-7-yl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H30N4O4/c1-15(2)21(28)25-8-3-4-16-5-6-17(14-18(16)25)23-20(27)19(26)22-7-9-24-10-12-29-13-11-24/h5-6,14-15H,3-4,7-13H2,1-2H3,(H,22,26)(H,23,27)/p+1