(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentyl-propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-cyclopentylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopentyl-propionamide Formula: C20H30N4OS+2 MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H28N4OS/c1-15(20(25)21-16-6-2-3-7-16)24-12-10-23(11-13-24)14-19-22-17-8-4-5-9-18(17)26-19/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,21,25)/p+2/t15-/m1/s1