[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-methyl-[(3-morpholinosulfonylphenyl)methyl]ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[[3-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-methyl-(3-morpholinosulfonylbenzyl)ammonium Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+](C)CC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+](C)CC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

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