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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]methanone Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25NO3/c1-16-3-2-4-17(13-16)15-23-9-7-18(8-10-23)22(24)19-5-6-20-21(14-19)26-12-11-25-20/h2-6,13-14,18H,7-12,15H2,1H3/p+1