(2S)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-morpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-morpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-morpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-morpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-morpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-morpholin-4-ium-4-yl-propionamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)[C@H](C)[NH+]2CCOCC2

InChI

InChI=1S/C17H25N3O3/c1-12-5-4-6-13(2)16(12)19-15(21)11-18-17(22)14(3)20-7-9-23-10-8-20/h4-6,14H,7-11H2,1-3H3,(H,18,22)(H,19,21)/p+1/t14-/m0/s1