(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C26H29N5OS+2 MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H27N5OS/c1-19(30-14-16-31(17-15-30)24-8-4-5-13-27-24)26(32)28-21-11-9-20(10-12-21)18-25-29-22-6-2-3-7-23(22)33-25/h2-13,19H,14-18H2,1H3,(H,28,32)/p+2/t19-/m1/s1