N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-methyl-benzamide CAS Name: N-[(1S,2S)-1-(4-ethyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide IUPAC Name: N-[(1S,2S)-1-(4-ethylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S,2S)-2-(4-ethylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-methyl-benzamide Formula: C21H31N3OS+2 MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)[C@H](C2=CC=CS2)[C@H](C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H29N3OS/c1-4-23-10-12-24(13-11-23)20(19-9-6-14-26-19)17(3)22-21(25)18-8-5-7-16(2)15-18/h5-9,14-15,17,20H,4,10-13H2,1-3H3,(H,22,25)/p+2/t17-,20-/m0/s1