(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-3-ium-3-yl)phenoxy]piperidine

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-3-ium-3-yl)phenoxy]piperidine Openeye Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-3-ium-3-yl)phenoxy]piperidine CAS Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-3-ium-3-yl)phenoxy]piperidine IUPAC Name: (3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-3-ium-3-yl)phenoxy]piperidine Traditional Name: (3S)-3-[4-(1H-imidazol-3-ium-3-yl)phenoxy]-1-piperonyl-piperidine Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)[N+]5=CNC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)[N+]5=CNC=C5

InChI

InChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2/p+1/t20-/m0/s1