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

Systemtic Name: 4-[[2-butyl-1-(1-ethanimidoylpiperidin-4-yl)oxy-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Openeye Name: 4-[[2-butyl-1-[(1-ethanimidoyl-4-piperidyl)oxy]benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboxamidine CAS Name: 4-[[2-butyl-1-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-benzimidazol-1-iumyl]methyl]-1-naphthalenecarboximidamide IUPAC Name: 4-[[2-butyl-1-(1-ethanimidoylpiperidin-4-yl)oxybenzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Traditional Name: 4-[[1-[(1-acetimidoyl-4-piperidyl)oxy]-2-butyl-benzimidazol-1-ium-1-yl]methyl]-1-naphthamidine Formula: C30H37N6O+ MolecularWeight: 497.65438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCN(CC5)C(=N)C

InChI

InChI=1S/C30H37N6O/c1-3-4-13-29-34-27-11-7-8-12-28(27)36(29,37-23-16-18-35(19-17-23)21(2)31)20-22-14-15-26(30(32)33)25-10-6-5-9-24(22)25/h5-12,14-15,23,31H,3-4,13,16-20H2,1-2H3,(H3,32,33)/q+1