2-chloranyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-5-(methylthio)benzamide Formula: C22H30ClN3OS+2 MolecularWeight: 420.0111

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCNC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCNC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C22H28ClN3OS/c1-25-13-14-26(21(16-25)17-7-4-3-5-8-17)12-6-11-24-22(27)19-15-18(28-2)9-10-20(19)23/h3-5,7-10,15,21H,6,11-14,16H2,1-2H3,(H,24,27)/p+2/t21-/m1/s1