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

Systemtic Name: (2R)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide Openeye Name: (2R)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2R)-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylpropanamide IUPAC Name: (2R)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: (2R)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propionamide Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3OS/c1-15(19(24)21(2)16-6-4-3-5-7-16)23-12-10-22(11-13-23)14-17-8-9-18(20)25-17/h3-9,15H,10-14H2,1-2H3/p+1/t15-/m1/s1