2-[(2S)-1-cyclopentyl-4-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[5-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H37N3OS+2 MolecularWeight: 379.60298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC=C(S3)C[NH+]4CCCC4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=C(S3)C[NH+]4CCCC4

InChI

InChI=1S/C21H35N3OS/c25-14-9-19-15-23(12-13-24(19)18-5-1-2-6-18)17-21-8-7-20(26-21)16-22-10-3-4-11-22/h7-8,18-19,25H,1-6,9-17H2/p+2/t19-/m0/s1