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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-(5-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-(5-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(5-quinolylmethyl)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=C4C=CC=NC4=CC=C3

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C21H29N3O/c25-14-10-19-16-23(12-13-24(19)18-6-1-2-7-18)15-17-5-3-9-21-20(17)8-4-11-22-21/h3-5,8-9,11,18-19,25H,1-2,6-7,10,12-16H2/p+1/t19-/m0/s1