(2S)-N-cyclopentyl-1-methyl-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]azepan-1-ium-2-carboxamide

Systemtic Name: (2S)-N-cyclopentyl-1-methyl-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]azepan-1-ium-2-carboxamide Openeye Name: (2S)-N-cyclopentyl-1-methyl-N-[[4-[2-(2-pyridyl)ethoxy]phenyl]methyl]azepan-1-ium-2-carboxamide CAS Name: (2S)-N-cyclopentyl-1-methyl-N-[[4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-2-azepan-1-iumcarboxamide IUPAC Name: (2S)-N-cyclopentyl-1-methyl-N-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]azepan-1-ium-2-carboxamide Traditional Name: (2S)-N-cyclopentyl-1-methyl-N-[4-[2-(2-pyridyl)ethoxy]benzyl]azepan-1-ium-2-carboxamide Formula: C27H38N3O2+ MolecularWeight: 436.60952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)N(CC2=CC=C(C=C2)OCCC3=CC=CC=N3)C4CCCC4

Isomeric SMILES

C[NH+]1CCCCC[C@H]1C(=O)N(CC2=CC=C(C=C2)OCCC3=CC=CC=N3)C4CCCC4

InChI

InChI=1S/C27H37N3O2/c1-29-19-8-2-3-12-26(29)27(31)30(24-10-4-5-11-24)21-22-13-15-25(16-14-22)32-20-17-23-9-6-7-18-28-23/h6-7,9,13-16,18,24,26H,2-5,8,10-12,17,19-21H2,1H3/p+1/t26-/m0/s1