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

Systemtic Name: N-butyl-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-butyl-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-butyl-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-butyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-butyl-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C14H23ClN3OS+ MolecularWeight: 316.86992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Cl

Isomeric SMILES

CCCCNC(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C14H22ClN3OS/c1-2-3-6-16-14(19)18-9-7-17(8-10-18)11-12-4-5-13(15)20-12/h4-5H,2-3,6-11H2,1H3,(H,16,19)/p+1