(2R)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=C(S3)Cl

InChI

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