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

Systemtic Name: N-(3-aminocarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)piperazin-4-ium-1-carboxamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4O2S/c21-18(25)17-15-7-4-8-16(15)27-19(17)22-20(26)24-11-9-23(10-12-24)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H2,21,25)(H,22,26)/p+1