2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C23H30N2O3/c26-15-11-21-17-24(16-20-9-4-10-22-23(20)28-18-27-22)13-14-25(21)12-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-10,21,26H,5,8,11-18H2/p+1/t21-/m0/s1