2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H28N4OS+2 MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H26N4OS/c1-3-14(2)19-17(23)12-21-8-10-22(11-9-21)13-18-20-15-6-4-5-7-16(15)24-18/h4-7,14H,3,8-13H2,1-2H3,(H,19,23)/p+2/t14-/m0/s1