2-chloranyl-N-[(2S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-1-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1Cl)[NH+]2CCOCC2

InChI

InChI=1S/C20H30ClN3O3S/c1-20(2,24-9-11-27-12-10-24)14-22-19(26)17(8-13-28-3)23-18(25)15-6-4-5-7-16(15)21/h4-7,17H,8-14H2,1-3H3,(H,22,26)(H,23,25)/p+1/t17-/m0/s1