N-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-3,5-dimethyl-benzamide Formula: C20H25BrN3O2S+ MolecularWeight: 451.4004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)C

InChI

InChI=1S/C20H24BrN3O2S/c1-14-9-15(2)11-16(10-14)20(26)22-12-19(25)24-7-5-23(6-8-24)13-17-3-4-18(21)27-17/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,22,26)/p+1