1-(phenylmethyl)-2-(piperidin-4-ylmethyl)-1-(thiophen-2-ylmethyl)benzimidazol-1-ium

Systemtic Name: 1-(phenylmethyl)-2-(piperidin-4-ylmethyl)-1-(thiophen-2-ylmethyl)benzimidazol-1-ium Openeye Name: 1-benzyl-2-(4-piperidylmethyl)-1-(2-thienylmethyl)benzimidazol-1-ium CAS Name: 1-(phenylmethyl)-2-(4-piperidinylmethyl)-1-(thiophen-2-ylmethyl)benzimidazol-1-ium IUPAC Name: 1-benzyl-2-(piperidin-4-ylmethyl)-1-(thiophen-2-ylmethyl)benzimidazol-1-ium Traditional Name: 1-benzyl-2-(4-piperidylmethyl)-1-(2-thenyl)benzimidazol-1-ium Formula: C25H28N3S+ MolecularWeight: 402.57492

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=NC3=CC=CC=C3[N+]2(CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CNCCC1CC2=NC3=CC=CC=C3[N+]2(CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C25H28N3S/c1-2-7-21(8-3-1)18-28(19-22-9-6-16-29-22)24-11-5-4-10-23(24)27-25(28)17-20-12-14-26-15-13-20/h1-11,16,20,26H,12-15,17-19H2/q+1