2-[(2S)-4-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-1-cyclopentyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[1-(5-chloropyridin-2-yl)pyrrol-2-yl]methyl]-1-cyclopentylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-1-cyclopentyl-piperazin-1-ium-2-yl]ethanol Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC=CN3C4=NC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CN3C4=NC=C(C=C4)Cl

InChI

InChI=1S/C21H29ClN4O/c22-17-7-8-21(23-14-17)26-10-3-6-19(26)15-24-11-12-25(18-4-1-2-5-18)20(16-24)9-13-27/h3,6-8,10,14,18,20,27H,1-2,4-5,9,11-13,15-16H2/p+1/t20-/m0/s1