ethyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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