(2S)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-benzyl-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]propionamide Formula: C19H25BrN3OS+ MolecularWeight: 423.3903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=C(S3)Br

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C19H24BrN3OS/c1-15(19(24)21-13-16-5-3-2-4-6-16)23-11-9-22(10-12-23)14-17-7-8-18(20)25-17/h2-8,15H,9-14H2,1H3,(H,21,24)/p+1/t15-/m0/s1