(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-phenethylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-phenethylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-propionamide Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N4OS/c1-18(23(28)24-12-11-19-7-3-2-4-8-19)27-15-13-26(14-16-27)17-22-25-20-9-5-6-10-21(20)29-22/h2-10,18H,11-17H2,1H3,(H,24,28)/p+1/t18-/m1/s1