2-[(2S)-1-cyclopentyl-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-(6-quinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-(6-quinolinylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-(quinolin-6-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(6-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=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=C(C=C3)N=CC=C4

InChI

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