N-[5-ethyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-thienyl]benzamide Formula: C20H29N3OS+2 MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CC[NH+](CC3)CC

InChI

InChI=1S/C20H27N3OS/c1-3-18-14-17(15-23-12-10-22(4-2)11-13-23)20(25-18)21-19(24)16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,21,24)/p+2