2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C19H24ClN4O2S+ MolecularWeight: 407.93746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)CC3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN4O2S/c20-17-7-6-16(27-17)13-23-8-10-24(11-9-23)14-18(25)22-19(26)21-12-15-4-2-1-3-5-15/h1-7H,8-14H2,(H2,21,22,25,26)/p+1