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

Systemtic Name: [1-(benzimidazol-1-ylmethyl)piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Openeye Name: [1-(benzimidazol-1-ylmethyl)piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: [1-(1-benzimidazolylmethyl)-4-piperidin-1-iumyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone IUPAC Name: [1-(benzimidazol-1-ylmethyl)piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: [1-(benzimidazol-1-ylmethyl)piperidin-1-ium-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CN4C=NC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C22H23N3O3/c26-22(17-5-6-20-21(13-17)28-12-11-27-20)16-7-9-24(10-8-16)15-25-14-23-18-3-1-2-4-19(18)25/h1-6,13-14,16H,7-12,15H2/p+1