1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-1-methyl-guanidine ethanoate

Systemtic Name: 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-1-methyl-guanidine ethanoate Openeye Name: 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-4-piperidyl]-1-methyl-guanidine acetate CAS Name: 1-[1-[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]-4-piperidinyl]-1-methylguanidine acetate IUPAC Name: 1-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-1-methylguanidine acetate Traditional Name: 1-[1-[1-(4-fluorobenzyl)benzimidazol-2-yl]-4-piperidyl]-1-methyl-guanidine acetate Formula: C23H28FN6O2- MolecularWeight: 439.505823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C(=N)N

Isomeric SMILES

CC(=O)[O-].CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C(=N)N

InChI

InChI=1S/C21H25FN6.C2H4O2/c1-26(20(23)24)17-10-12-27(13-11-17)21-25-18-4-2-3-5-19(18)28(21)14-15-6-8-16(22)9-7-15;1-2(3)4/h2-9,17H,10-14H2,1H3,(H3,23,24);1H3,(H,3,4)/p-1