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

Systemtic Name: 3-(cyclopropylmethyl)-1-[(1-ethylcyclooctyl)methyl]-1-piperidin-4-yl-benzimidazol-1-ium-2-one Openeye Name: 3-(cyclopropylmethyl)-1-[(1-ethylcyclooctyl)methyl]-1-(4-piperidyl)benzimidazol-1-ium-2-one CAS Name: 3-(cyclopropylmethyl)-1-[(1-ethylcyclooctyl)methyl]-1-(4-piperidinyl)-2-benzimidazol-1-iumone IUPAC Name: 3-(cyclopropylmethyl)-1-[(1-ethylcyclooctyl)methyl]-1-piperidin-4-ylbenzimidazol-1-ium-2-one Traditional Name: 3-(cyclopropylmethyl)-1-[(1-ethylcyclooctyl)methyl]-1-(4-piperidyl)benzimidazol-1-ium-2-one Formula: C27H42N3O+ MolecularWeight: 424.64188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCCCC1)C[N+]2(C3=CC=CC=C3N(C2=O)CC4CC4)C5CCNCC5

Isomeric SMILES

CCC1(CCCCCCC1)C[N+]2(C3=CC=CC=C3N(C2=O)CC4CC4)C5CCNCC5

InChI

InChI=1S/C27H42N3O/c1-2-27(16-8-4-3-5-9-17-27)21-30(23-14-18-28-19-15-23)25-11-7-6-10-24(25)29(26(30)31)20-22-12-13-22/h6-7,10-11,22-23,28H,2-5,8-9,12-21H2,1H3/q+1