3-oxidanidyl-3-[1-(3-thiophen-2-ylpentan-3-yl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium

Systemtic Name: 3-oxidanidyl-3-[1-(3-thiophen-2-ylpentan-3-yl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Openeye Name: 3-[1-[1-ethyl-1-(2-thienyl)propyl]-4-piperidyl]-3-oxido-1,2-dihydrobenzimidazol-3-ium CAS Name: 3-oxido-3-[1-(3-thiophen-2-ylpentan-3-yl)-4-piperidinyl]-1,2-dihydrobenzimidazol-3-ium IUPAC Name: 3-oxido-3-[1-(3-thiophen-2-ylpentan-3-yl)piperidin-4-yl]-1,2-dihydrobenzimidazol-3-ium Traditional Name: 3-[1-[1-ethyl-1-(2-thienyl)propyl]-4-piperidyl]-3-oxido-1,2-dihydrobenzimidazol-3-ium Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CS1)N2CCC(CC2)[N+]3(CNC4=CC=CC=C43)[O-]

Isomeric SMILES

CCC(CC)(C1=CC=CS1)N2CCC(CC2)[N+]3(CNC4=CC=CC=C43)[O-]

InChI

InChI=1S/C21H29N3OS/c1-3-21(4-2,20-10-7-15-26-20)23-13-11-17(12-14-23)24(25)16-22-18-8-5-6-9-19(18)24/h5-10,15,17,22H,3-4,11-14,16H2,1-2H3