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

Systemtic Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-4-(2-thienyl)butanamide CAS Name: N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-4-(2-thienyl)butyramide Formula: C22H33N3OS+2 MolecularWeight: 387.58192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCNC(=O)CCCC3=CC=CS3

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCNC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C22H31N3OS/c1-24-15-16-25(21(18-24)19-8-3-2-4-9-19)14-7-13-23-22(26)12-5-10-20-11-6-17-27-20/h2-4,6,8-9,11,17,21H,5,7,10,12-16,18H2,1H3,(H,23,26)/p+2/t21-/m1/s1