N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H25N3O3S/c1-2-22-9-11-23(12-10-22)20(25)17-14-6-3-4-8-16(14)27-19(17)21-18(24)15-7-5-13-26-15/h5,7,13H,2-4,6,8-12H2,1H3,(H,21,24)/p+1