(2R)-N-(2-cyanophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propionamide Formula: C20H30N4O+2 MolecularWeight: 342.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C20H28N4O/c1-16(20(25)22-19-8-4-3-7-17(19)15-21)23-13-9-18(10-14-23)24-11-5-2-6-12-24/h3-4,7-8,16,18H,2,5-6,9-14H2,1H3,(H,22,25)/p+2/t16-/m1/s1