1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium Traditional Name: 1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-ium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H24N2O2/c1-2-4-17(5-3-1)15-21-8-10-22(11-9-21)16-18-6-7-19-20(14-18)24-13-12-23-19/h1-7,14H,8-13,15-16H2/p+1