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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N4OS/c1-3-26-12-14-27(15-13-26)17(2)23(28)24-19-10-8-18(9-11-19)16-22-25-20-6-4-5-7-21(20)29-22/h4-11,17H,3,12-16H2,1-2H3,(H,24,28)/p+1/t17-/m1/s1