N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]propionamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C#N

InChI

InChI=1S/C21H24N4O3S/c22-14-16-15-4-1-2-6-18(15)29-20(16)23-19(26)7-8-24-9-11-25(12-10-24)21(27)17-5-3-13-28-17/h3,5,13H,1-2,4,6-12H2,(H,23,26)/p+1