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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-17-5-2-3-6-19(17)16-23-9-4-10-24(12-11-23)22(25)18-7-8-20-21(15-18)27-14-13-26-20/h2-3,5-8,15H,4,9-14,16H2,1H3/p+1