(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-16-5-3-4-6-17(16)15-23-7-9-24(10-8-23)22(25)18-13-19(26-2)21-20(14-18)27-11-12-28-21/h3-6,13-14H,7-12,15H2,1-2H3/p+1