[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-ethylbenzotriazol-5-yl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-ethylbenzotriazol-5-yl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(1-ethyl-5-benzotriazolyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Formula: C18H21ClN5OS+ MolecularWeight: 390.91024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl)N=N1

InChI

InChI=1S/C18H20ClN5OS/c1-2-24-16-5-3-13(11-15(16)20-21-24)18(25)23-9-7-22(8-10-23)12-14-4-6-17(19)26-14/h3-6,11H,2,7-10,12H2,1H3/p+1