(2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2,5-dimethoxyphenyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2,5-dimethoxyphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propionamide Formula: C21H35N3O3+2 MolecularWeight: 377.5209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)OC)OC)[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C21H33N3O3/c1-16(21(25)22-19-15-18(26-2)7-8-20(19)27-3)23-13-9-17(10-14-23)24-11-5-4-6-12-24/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,22,25)/p+2/t16-/m1/s1