4-[(5-chloranylthiophen-2-yl)methyl]-N-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C17H20Cl2N3OS+ MolecularWeight: 385.3312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19Cl2N3OS/c18-14-3-1-2-13(10-14)11-20-17(23)22-8-6-21(7-9-22)12-15-4-5-16(19)24-15/h1-5,10H,6-9,11-12H2,(H,20,23)/p+1