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

Systemtic Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-4-[(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=C(C=C3)CSC

Isomeric SMILES

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

InChI

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