1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium Formula: C19H22N3O4+ MolecularWeight: 356.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O4/c23-22(24)17-11-19-18(25-14-26-19)10-16(17)13-21-8-6-20(7-9-21)12-15-4-2-1-3-5-15/h1-5,10-11H,6-9,12-14H2/p+1