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

Systemtic Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-(5-isoquinolylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(5-isoquinolinylmethyl)-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-(5-isoquinolylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H27N3O/c1-15(2)22-10-9-21(14-18(22)7-11-23)13-17-5-3-4-16-12-20-8-6-19(16)17/h3-6,8,12,15,18,23H,7,9-11,13-14H2,1-2H3/p+1/t18-/m0/s1