(3R)-4-(naphthalen-1-ylmethyl)-3-[2-oxidanylidene-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(naphthalen-1-ylmethyl)-3-[2-oxidanylidene-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(1-naphthylmethyl)-3-[2-oxo-2-(4-piperidin-1-ium-1-yl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(1-naphthalenylmethyl)-3-[2-oxo-2-[4-(1-piperidin-1-iumyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-piperidin-1-ium-1-ylpiperidino)ethyl]-4-(1-naphthylmethyl)piperazin-4-ium-2-one Formula: C27H38N4O2+2 MolecularWeight: 450.61622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H36N4O2/c32-26(30-16-11-23(12-17-30)29-14-4-1-5-15-29)19-25-27(33)28-13-18-31(25)20-22-9-6-8-21-7-2-3-10-24(21)22/h2-3,6-10,23,25H,1,4-5,11-20H2,(H,28,33)/p+2/t25-/m1/s1