4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-chlorobenzothiophen-2-yl)methyl]-N-ethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-ethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[(3-chlorobenzothiophen-2-yl)methyl]-N-ethyl-piperazin-4-ium-1-carboxamide Formula: C16H21ClN3OS+ MolecularWeight: 338.87544

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CC[NH+](CC1)CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCNC(=O)N1CC[NH+](CC1)CC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H20ClN3OS/c1-2-18-16(21)20-9-7-19(8-10-20)11-14-15(17)12-5-3-4-6-13(12)22-14/h3-6H,2,7-11H2,1H3,(H,18,21)/p+1