(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-(4-piperidinophenyl)propionamide Formula: C26H34N5OS+ MolecularWeight: 464.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H33N5OS/c1-20(26(32)27-21-9-11-22(12-10-21)31-13-5-2-6-14-31)30-17-15-29(16-18-30)19-25-28-23-7-3-4-8-24(23)33-25/h3-4,7-12,20H,2,5-6,13-19H2,1H3,(H,27,32)/p+1/t20-/m0/s1