N-[(2S)-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C26H36N3O2S+ MolecularWeight: 454.64794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O2S/c1-20-12-15-29(16-13-20)19-22-10-8-21(9-11-22)18-27-26(31)24(14-17-32-2)28-25(30)23-6-4-3-5-7-23/h3-11,20,24H,12-19H2,1-2H3,(H,27,31)(H,28,30)/p+1/t24-/m0/s1