4-[[1-(6-ethanimidoylpiperidin-3-yl)oxy-2-methyl-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide

Systemtic Name: 4-[[1-(6-ethanimidoylpiperidin-3-yl)oxy-2-methyl-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Openeye Name: 4-[[1-[(6-ethanimidoyl-3-piperidyl)oxy]-2-methyl-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboxamidine CAS Name: 4-[[1-[[6-(1-iminoethyl)-3-piperidinyl]oxy]-2-methyl-1-benzimidazol-1-iumyl]methyl]-1-naphthalenecarboximidamide IUPAC Name: 4-[[1-(6-ethanimidoylpiperidin-3-yl)oxy-2-methylbenzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Traditional Name: 4-[[1-[(6-acetimidoyl-3-piperidyl)oxy]-2-methyl-benzimidazol-1-ium-1-yl]methyl]-1-naphthamidine Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCC(NC5)C(=N)C

Isomeric SMILES

CC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCC(NC5)C(=N)C

InChI

InChI=1S/C27H31N6O/c1-17(28)24-14-12-20(15-31-24)34-33(18(2)32-25-9-5-6-10-26(25)33)16-19-11-13-23(27(29)30)22-8-4-3-7-21(19)22/h3-11,13,20,24,28,31H,12,14-16H2,1-2H3,(H3,29,30)/q+1