(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol

Systemtic Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Openeye Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol CAS Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanol IUPAC Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Traditional Name: (1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(C2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](C2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4

InChI

InChI=1S/C19H22N2O3/c22-17(15-6-7-18-19(12-15)24-14-23-18)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16/h1-7,12,17,22H,8-11,13-14H2/p+1/t17-/m1/s1