(3R)-4-cyclopentyl-3-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-cyclopentyl-3-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-cyclopentyl-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-cyclopentyl-3-[2-keto-2-[4-(2-thenyl)piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Formula: C20H32N4O2S+2 MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H30N4O2S/c25-19(23-11-9-22(10-12-23)15-17-6-3-13-27-17)14-18-20(26)21-7-8-24(18)16-4-1-2-5-16/h3,6,13,16,18H,1-2,4-5,7-12,14-15H2,(H,21,26)/p+2/t18-/m1/s1