3-[3-(2-azanylethyl)-1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-1H-benzimidazol-3-ium-2-one

Systemtic Name: 3-[3-(2-azanylethyl)-1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-1H-benzimidazol-3-ium-2-one Openeye Name: 3-[3-(2-aminoethyl)-1-(cyclooctylmethyl)-4-piperidyl]-3-ethyl-1H-benzimidazol-3-ium-2-one CAS Name: 3-[3-(2-aminoethyl)-1-(cyclooctylmethyl)-4-piperidinyl]-3-ethyl-1H-benzimidazol-3-ium-2-one IUPAC Name: 3-[3-(2-aminoethyl)-1-(cyclooctylmethyl)piperidin-4-yl]-3-ethyl-1H-benzimidazol-3-ium-2-one Traditional Name: 3-[3-(2-aminoethyl)-1-(cyclooctylmethyl)-4-piperidyl]-3-ethyl-1H-benzimidazol-3-ium-2-one Formula: C25H41N4O+ MolecularWeight: 413.61924

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC=C2NC1=O)C3CCN(CC3CCN)CC4CCCCCCC4

Isomeric SMILES

CC[N+]1(C2=CC=CC=C2NC1=O)C3CCN(CC3CCN)CC4CCCCCCC4

InChI

InChI=1S/C25H40N4O/c1-2-29(24-13-9-8-12-22(24)27-25(29)30)23-15-17-28(19-21(23)14-16-26)18-20-10-6-4-3-5-7-11-20/h8-9,12-13,20-21,23H,2-7,10-11,14-19,26H2,1H3/p+1