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

Systemtic Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(5-isoquinolinylmethyl)-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c27-14-10-22-18-25(12-13-26(22)16-19-5-2-1-3-6-19)17-21-8-4-7-20-15-24-11-9-23(20)21/h1-9,11,15,22,27H,10,12-14,16-18H2/p+1/t22-/m0/s1