2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-5,6-dimethyl-1H-benzimidazole

Systemtic Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-5,6-dimethyl-1H-benzimidazole Openeye Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-5,6-dimethyl-1H-benzimidazole CAS Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidin-1-iumyl]-5,6-dimethyl-1H-benzimidazole IUPAC Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-5,6-dimethyl-1H-benzimidazole Traditional Name: 2-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-1-ium-4-yl]-5,6-dimethyl-1H-benzimidazole Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3CC[NH+](CC3)CC4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3CC[NH+](CC3)C[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H27N3O2/c1-15-11-19-20(12-16(15)2)25-23(24-19)17-7-9-26(10-8-17)13-18-14-27-21-5-3-4-6-22(21)28-18/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3,(H,24,25)/p+1/t18-/m0/s1