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

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-propionamide Formula: C18H26N4OS+2 MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H24N4OS/c1-13(18(23)19-14-6-7-14)22-10-8-21(9-11-22)12-17-20-15-4-2-3-5-16(15)24-17/h2-5,13-14H,6-12H2,1H3,(H,19,23)/p+2/t13-/m1/s1