1,3-benzodioxol-5-yl-[4-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]-1-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenoxy]-1-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]piperidino]methanone Formula: C30H34N3O4+ MolecularWeight: 500.60866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H33N3O4/c34-30(24-9-10-28-29(20-24)36-22-35-28)33-13-11-26(12-14-33)37-27-8-4-5-23(19-27)21-31-15-17-32(18-16-31)25-6-2-1-3-7-25/h1-10,19-20,26H,11-18,21-22H2/p+1