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

Systemtic Name: 4-[[1-(2-ethanimidoylpiperidin-4-yl)oxy-2-ethyl-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Openeye Name: 4-[[1-[(2-ethanimidoyl-4-piperidyl)oxy]-2-ethyl-benzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboxamidine CAS Name: 4-[[2-ethyl-1-[[2-(1-iminoethyl)-4-piperidinyl]oxy]-1-benzimidazol-1-iumyl]methyl]-1-naphthalenecarboximidamide IUPAC Name: 4-[[1-(2-ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-ium-1-yl]methyl]naphthalene-1-carboximidamide Traditional Name: 4-[[1-[(2-acetimidoyl-4-piperidyl)oxy]-2-ethyl-benzimidazol-1-ium-1-yl]methyl]-1-naphthamidine Formula: C28H33N6O+ MolecularWeight: 469.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCNC(C5)C(=N)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C4=CC=CC=C34)C(=N)N)OC5CCNC(C5)C(=N)C

InChI

InChI=1S/C28H33N6O/c1-3-27-33-24-10-6-7-11-26(24)34(27,35-20-14-15-32-25(16-20)18(2)29)17-19-12-13-23(28(30)31)22-9-5-4-8-21(19)22/h4-13,20,25,29,32H,3,14-17H2,1-2H3,(H3,30,31)/q+1