(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propionamide Formula: C20H31N3O3+2 MolecularWeight: 361.47844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C20H29N3O3/c1-15(20(24)21-16-5-6-18-19(13-16)26-14-25-18)22-11-7-17(8-12-22)23-9-3-2-4-10-23/h5-6,13,15,17H,2-4,7-12,14H2,1H3,(H,21,24)/p+2/t15-/m1/s1