5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol

Systemtic Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol Openeye Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol CAS Name: 5-(1-methyl-1-azepan-1-iumyl)-1,1-diphenyl-3-pentyn-1-ol IUPAC Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenylpent-3-yn-1-ol Traditional Name: 5-(1-methylazepan-1-ium-1-yl)-1,1-diphenyl-pent-3-yn-1-ol Formula: C24H30NO+ MolecularWeight: 348.5011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

C[N+]1(CCCCCC1)CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C24H30NO/c1-25(19-11-2-3-12-20-25)21-13-10-18-24(26,22-14-6-4-7-15-22)23-16-8-5-9-17-23/h4-9,14-17,26H,2-3,11-12,18-21H2,1H3/q+1