3-methyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1R)-3-methylsulfanyl-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[(2R)-4-(methylthio)-1-oxo-1-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Traditional Name: 3-methyl-N-[(1R)-3-(methylthio)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]carbamoyl]propyl]benzamide Formula: C25H34N3O2S+ MolecularWeight: 440.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C25H33N3O2S/c1-19-6-5-7-22(16-19)24(29)27-23(12-15-31-2)25(30)26-17-20-8-10-21(11-9-20)18-28-13-3-4-14-28/h5-11,16,23H,3-4,12-15,17-18H2,1-2H3,(H,26,30)(H,27,29)/p+1/t23-/m1/s1