2-[(2S)-4-(1-benzothiophen-2-ylmethyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1-benzothiophen-2-ylmethyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(benzothiophen-2-ylmethyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1-benzothiophen-2-ylmethyl)-1-cyclopentyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1-benzothiophen-2-ylmethyl)-1-cyclopentylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(benzothiophen-2-ylmethyl)-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H28N2OS/c23-12-9-18-14-21(10-11-22(18)17-6-2-3-7-17)15-19-13-16-5-1-4-8-20(16)24-19/h1,4-5,8,13,17-18,23H,2-3,6-7,9-12,14-15H2/p+1/t18-/m0/s1