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

Systemtic Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(5-isoquinolinylmethyl)-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H32N4O/c1-24-10-6-20(7-11-24)26-13-12-25(17-21(26)8-14-27)16-19-4-2-3-18-15-23-9-5-22(18)19/h2-5,9,15,20-21,27H,6-8,10-14,16-17H2,1H3/p+1/t21-/m0/s1