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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-(isoquinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-(5-isoquinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-(5-isoquinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-(isoquinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(5-isoquinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H29N3O/c25-13-9-20-16-23(11-12-24(20)19-6-1-2-7-19)15-18-5-3-4-17-14-22-10-8-21(17)18/h3-5,8,10,14,19-20,25H,1-2,6-7,9,11-13,15-16H2/p+1/t20-/m0/s1