1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[(4-piperonylpiperazin-4-ium-1-yl)methyl]-2-naphthol Formula: C23H25N2O3+ MolecularWeight: 377.4562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=CC=CC=C54)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=CC=CC=C54)O

InChI

InChI=1S/C23H24N2O3/c26-21-7-6-18-3-1-2-4-19(18)20(21)15-25-11-9-24(10-12-25)14-17-5-8-22-23(13-17)28-16-27-22/h1-8,13,26H,9-12,14-16H2/p+1