N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-o-phenetylpiperazin-1-ium-1-yl)propionamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(C4=C(S3)CCC4)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=C(C4=C(S3)CCC4)C#N

InChI

InChI=1S/C23H28N4O2S/c1-2-29-20-8-4-3-7-19(20)27-14-12-26(13-15-27)11-10-22(28)25-23-18(16-24)17-6-5-9-21(17)30-23/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,25,28)/p+1