1-[(1-ethylcyclooctyl)methyl]-1-piperidin-4-yl-3-prop-2-ynyl-benzimidazol-1-ium-2-one

Systemtic Name: 1-[(1-ethylcyclooctyl)methyl]-1-piperidin-4-yl-3-prop-2-ynyl-benzimidazol-1-ium-2-one Openeye Name: 1-[(1-ethylcyclooctyl)methyl]-1-(4-piperidyl)-3-prop-2-ynyl-benzimidazol-1-ium-2-one CAS Name: 1-[(1-ethylcyclooctyl)methyl]-1-(4-piperidinyl)-3-prop-2-ynyl-2-benzimidazol-1-iumone IUPAC Name: 1-[(1-ethylcyclooctyl)methyl]-1-piperidin-4-yl-3-prop-2-ynylbenzimidazol-1-ium-2-one Traditional Name: 1-[(1-ethylcyclooctyl)methyl]-1-(4-piperidyl)-3-propargyl-benzimidazol-1-ium-2-one Formula: C26H38N3O+ MolecularWeight: 408.59942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCCCC1)C[N+]2(C3=CC=CC=C3N(C2=O)CC#C)C4CCNCC4

Isomeric SMILES

CCC1(CCCCCCC1)C[N+]2(C3=CC=CC=C3N(C2=O)CC#C)C4CCNCC4

InChI

InChI=1S/C26H38N3O/c1-3-20-28-23-12-8-9-13-24(23)29(25(28)30,22-14-18-27-19-15-22)21-26(4-2)16-10-6-5-7-11-17-26/h1,8-9,12-13,22,27H,4-7,10-11,14-21H2,2H3/q+1