(2R)-N-ethyl-1-methyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azepan-1-ium-2-carboxamide

Systemtic Name: (2R)-N-ethyl-1-methyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azepan-1-ium-2-carboxamide Openeye Name: (2R)-N-ethyl-1-methyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azepan-1-ium-2-carboxamide CAS Name: (2R)-N-ethyl-1-methyl-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-2-azepan-1-iumcarboxamide IUPAC Name: (2R)-N-ethyl-1-methyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azepan-1-ium-2-carboxamide Traditional Name: (2R)-N-ethyl-1-methyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]azepan-1-ium-2-carboxamide Formula: C22H45N4O+3 MolecularWeight: 381.6189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3CCCCC[NH+]3C

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)[C@H]3CCCCC[NH+]3C

InChI

InChI=1S/C22H42N4O/c1-4-25(22(27)21-8-6-5-7-13-24(21)3)18-19-9-16-26(17-10-19)20-11-14-23(2)15-12-20/h19-21H,4-18H2,1-3H3/p+3/t21-/m1/s1