8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine Openeye Name: 8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine CAS Name: 8-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C19H24N3O2+ MolecularWeight: 326.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)N)COCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)N)COCO3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N3O2/c20-17-10-15(19-16(11-17)13-23-14-24-19)12-21-6-8-22(9-7-21)18-4-2-1-3-5-18/h1-5,10-11H,6-9,12-14,20H2/p+1