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

Systemtic Name: 4-[[1-(3-ethanimidoylpiperidin-4-yl)oxy-2-methyl-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Openeye Name: 4-[[1-[(3-ethanimidoyl-4-piperidyl)oxy]-2-methyl-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboxamidine CAS Name: 4-[[1-[[3-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl-1-benzimidazol-1-iumyl]methyl]-1-naphthalenecarboximidamide IUPAC Name: 4-[[1-(3-ethanimidoylpiperidin-4-yl)oxy-2-methylbenzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Traditional Name: 4-[[1-[(3-acetimidoyl-4-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)OC5CCNCC5C(=N)C

Isomeric SMILES

CC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCNCC5C(=N)C

InChI

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