N-(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2S/c22-19(26)18-16-7-4-8-17(16)28-20(18)23-21(27)25-13-11-24(12-14-25)10-9-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H2,22,26)(H,23,27)/p+1