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

Systemtic Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-3-[(methylthio)methyl]benzamide Formula: C23H33N3OS+2 MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3OS/c1-25-14-15-26(22(17-25)20-9-4-3-5-10-20)13-7-12-24-23(27)21-11-6-8-19(16-21)18-28-2/h3-6,8-11,16,22H,7,12-15,17-18H2,1-2H3,(H,24,27)/p+2/t22-/m1/s1