4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Openeye Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-morpholin-4-iumyl)ethyl]butanamide IUPAC Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)butanamide Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)butyramide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NCC[NH+]2CCOCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NCC[NH+]2CCOCC2)C

InChI

InChI=1S/C18H29N3O4S/c1-15-5-6-17(14-16(15)2)26(23,24)20-7-3-4-18(22)19-8-9-21-10-12-25-13-11-21/h5-6,14,20H,3-4,7-13H2,1-2H3,(H,19,22)/p+1