6-methyl-2-[(2R)-1-(oxan-4-ylmethyl)pyrrolidin-1-ium-2-yl]-1H-benzimidazole

Systemtic Name: 6-methyl-2-[(2R)-1-(oxan-4-ylmethyl)pyrrolidin-1-ium-2-yl]-1H-benzimidazole Openeye Name: 6-methyl-2-[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-1-ium-2-yl]-1H-benzimidazole CAS Name: 6-methyl-2-[(2R)-1-(4-oxanylmethyl)-2-pyrrolidin-1-iumyl]-1H-benzimidazole IUPAC Name: 6-methyl-2-[(2R)-1-(oxan-4-ylmethyl)pyrrolidin-1-ium-2-yl]-1H-benzimidazole Traditional Name: 6-methyl-2-[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-1-ium-2-yl]-1H-benzimidazole Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3CCC[NH+]3CC4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)[C@H]3CCC[NH+]3CC4CCOCC4

InChI

InChI=1S/C18H25N3O/c1-13-4-5-15-16(11-13)20-18(19-15)17-3-2-8-21(17)12-14-6-9-22-10-7-14/h4-5,11,14,17H,2-3,6-10,12H2,1H3,(H,19,20)/p+1/t17-/m1/s1