1-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)-1-piperazin-4-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-2-naphthol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=C(C=CC3=CC=CC=C32)O)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=C(C=CC3=CC=CC=C32)O)C

InChI

InChI=1S/C22H30N2O2/c1-17(2)9-11-24-13-12-23(15-19(24)10-14-25)16-21-20-6-4-3-5-18(20)7-8-22(21)26/h3-9,19,25-26H,10-16H2,1-2H3/p+1/t19-/m0/s1