N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]acetamide CAS Name: N-[(2S)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]acetamide Formula: C23H35N3O2S+2 MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C23H33N3O2S/c1-17(2)19-8-7-18(3)14-21(19)28-16-23(27)24-15-20(22-6-5-13-29-22)26-11-9-25(4)10-12-26/h5-8,13-14,17,20H,9-12,15-16H2,1-4H3,(H,24,27)/p+2/t20-/m0/s1