1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-2-[(2R)-oxolan-2-yl]benzimidazole

Systemtic Name: 1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-2-[(2R)-oxolan-2-yl]benzimidazole Openeye Name: 1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-2-[(2R)-tetrahydrofuran-2-yl]benzimidazole CAS Name: 1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-2-[(2R)-2-oxolanyl]benzimidazole IUPAC Name: 1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-2-[(2R)-oxolan-2-yl]benzimidazole Traditional Name: 1-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-2-[(2R)-tetrahydrofuran-2-yl]benzimidazole Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)N4C5=CC=CC=C5N=C4C6CCCO6

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)N4C5=CC=CC=C5N=C4[C@H]6CCCO6

InChI

InChI=1S/C25H29N3O4/c1-29-22-13-17(14-23-24(22)32-16-31-23)15-27-10-8-18(9-11-27)28-20-6-3-2-5-19(20)26-25(28)21-7-4-12-30-21/h2-3,5-6,13-14,18,21H,4,7-12,15-16H2,1H3/p+1/t21-/m1/s1