N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(3-methylbutyl)ethanediamide

Systemtic Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-(3-methylbutyl)ethanediamide Openeye Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-isopentyl-oxamide CAS Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-N-(3-methylbutyl)oxamide IUPAC Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-N-(3-methylbutyl)oxamide Traditional Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-N-isoamyl-oxamide Formula: C21H35N4O3+ MolecularWeight: 391.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3/c1-16(2)9-10-22-20(26)21(27)23-15-19(25-11-13-28-14-12-25)17-5-7-18(8-6-17)24(3)4/h5-8,16,19H,9-15H2,1-4H3,(H,22,26)(H,23,27)/p+1/t19-/m1/s1