1-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azepan-2-one

Systemtic Name: 1-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azepan-2-one Openeye Name: 1-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]azepan-2-one Formula: C17H25ClN3O2S+ MolecularWeight: 370.9173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H24ClN3O2S/c18-15-6-5-14(24-15)12-19-8-10-20(11-9-19)17(23)13-21-7-3-1-2-4-16(21)22/h5-6H,1-4,7-13H2/p+1