(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-thenyl)propionamide Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3OS/c1-14(18(23)20-13-17-6-3-11-24-17)21-7-9-22(10-8-21)16-5-2-4-15(19)12-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,23)/p+1/t14-/m1/s1