N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(2-methylpropyl)ethanediamide

Systemtic Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(2-methylpropyl)ethanediamide Openeye Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-isobutyl-oxamide CAS Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-N-(2-methylpropyl)oxamide IUPAC Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-N-(2-methylpropyl)oxamide Traditional Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-isobutyl-oxamide Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(=O)NCC(C1=CC=C(C=C1)N(C)C)[NH+]2CCOCC2

Isomeric SMILES

CC(C)CNC(=O)C(=O)NC[C@H](C1=CC=C(C=C1)N(C)C)[NH+]2CCOCC2

InChI

InChI=1S/C20H32N4O3/c1-15(2)13-21-19(25)20(26)22-14-18(24-9-11-27-12-10-24)16-5-7-17(8-6-16)23(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,21,25)(H,22,26)/p+1/t18-/m1/s1