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

Systemtic Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(5-isoquinolinylmethyl)-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H29N3O/c28-16-11-23-19-26(14-15-27(23)13-10-20-5-2-1-3-6-20)18-22-8-4-7-21-17-25-12-9-24(21)22/h1-9,12,17,23,28H,10-11,13-16,18-19H2/p+1/t23-/m0/s1