4-[(5-bromanylthiophen-2-yl)methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C19H25BrN3O2S+ MolecularWeight: 439.3897

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C19H24BrN3O2S/c1-14(16-5-3-4-6-17(16)25-2)21-19(24)23-11-9-22(10-12-23)13-15-7-8-18(20)26-15/h3-8,14H,9-13H2,1-2H3,(H,21,24)/p+1/t14-/m0/s1