(2S)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(phenylcarbamoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(phenylcarbamoylamino)butanamide Openeye Name: (2S)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(phenylcarbamoylamino)butanamide CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: (2S)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(phenylcarbamoylamino)butanamide Traditional Name: (2S)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(phenylcarbamoylamino)butyramide Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC[NH+]1CCOCC1)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC[NH+]1CCOCC1)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O3/c1-14(2)16(21-18(24)20-15-6-4-3-5-7-15)17(23)19-8-9-22-10-12-25-13-11-22/h3-7,14,16H,8-13H2,1-2H3,(H,19,23)(H2,20,21,24)/p+1/t16-/m0/s1