2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(5-isoquinolinylmethyl)-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O/c1-17(2)7-10-24-12-11-23(16-20(24)8-13-25)15-19-5-3-4-18-14-22-9-6-21(18)19/h3-7,9,14,20,25H,8,10-13,15-16H2,1-2H3/p+1/t20-/m0/s1