2-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-methylsulfanyl-propyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[(2S)-4-(methylthio)-1-oxo-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]butan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide Traditional Name: N-[(1S)-1-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]-3-(methylthio)propyl]-2-chloro-benzamide Formula: C24H31ClN3O2S+ MolecularWeight: 461.03984

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H30ClN3O2S/c1-31-16-13-22(27-23(29)20-9-5-6-10-21(20)25)24(30)26-19-11-14-28(15-12-19)17-18-7-3-2-4-8-18/h2-10,19,22H,11-17H2,1H3,(H,26,30)(H,27,29)/p+1/t22-/m0/s1