4-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-(1,1-dioxo-2-thiazinanyl)-3-methyl-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-(1,1-diketothiazinan-2-yl)-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCOCC2)N3CCCCS3(=O)=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCC[NH+]2CCOCC2)N3CCCCS3(=O)=O

InChI

InChI=1S/C19H29N3O4S/c1-16-15-17(5-6-18(16)22-9-2-3-14-27(22,24)25)19(23)20-7-4-8-21-10-12-26-13-11-21/h5-6,15H,2-4,7-14H2,1H3,(H,20,23)/p+1