3-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C19H25ClN4O2S+2 MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN4O2S/c1-21-19(26)14-3-2-4-15(11-14)22-18(25)13-24-9-7-23(8-10-24)12-16-5-6-17(20)27-16/h2-6,11H,7-10,12-13H2,1H3,(H,21,26)(H,22,25)/p+2