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

Systemtic Name: [1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Openeye Name: [1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: [1-[(4-bromophenyl)methyl]-4-piperidin-1-iumyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone IUPAC Name: [1-[(4-bromophenyl)methyl]piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: [1-(4-bromobenzyl)piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C21H23BrNO3+ MolecularWeight: 417.31622

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrNO3/c22-18-4-1-15(2-5-18)14-23-9-7-16(8-10-23)21(24)17-3-6-19-20(13-17)26-12-11-25-19/h1-6,13,16H,7-12,14H2/p+1