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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O/c25-14-11-20-16-23(12-13-24(20)19-6-2-3-7-19)15-18-10-9-17-5-1-4-8-21(17)22-18/h1,4-5,8-10,19-20,25H,2-3,6-7,11-16H2/p+1/t20-/m0/s1