(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenyl-acetamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N,N-diethyl-2-phenylacetamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenylacetamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N,N-diethyl-2-phenyl-acetamide Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-3-27(4-2)24(29)23(19-10-6-5-7-11-19)28-16-14-26(15-17-28)18-22-25-20-12-8-9-13-21(20)30-22/h5-13,23H,3-4,14-18H2,1-2H3/p+1/t23-/m0/s1