2-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-3-methylsulfanyl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[(2S)-4-(methylthio)-1-oxo-1-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]butan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-4-methylsulfanyl-1-oxo-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-3-(methylthio)-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]propyl]benzamide Formula: C24H31ClN3O2S+ MolecularWeight: 461.03984

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CC=C1C[NH+]2CCCC2)NC(=O)C3=CC=CC=C3Cl

InChI

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