2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O3/c1-16-4-2-3-5-18(16)15-22-8-10-23(11-9-22)21(24)17-6-7-19-20(14-17)26-13-12-25-19/h2-7,14H,8-13,15H2,1H3/p+1