(3R)-4-(cyclohexylmethyl)-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxidanylidene-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxo-2-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxo-2-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(cyclohexylmethyl)-3-[2-oxo-2-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(cyclohexylmethyl)-3-[2-keto-2-(4-pyrrolidin-1-ium-1-ylpiperidino)ethyl]piperazin-4-ium-2-one Formula: C22H40N4O2+2 MolecularWeight: 392.5786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)[NH+]4CCCC4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)[NH+]4CCCC4

InChI

InChI=1S/C22H38N4O2/c27-21(25-13-8-19(9-14-25)24-11-4-5-12-24)16-20-22(28)23-10-15-26(20)17-18-6-2-1-3-7-18/h18-20H,1-17H2,(H,23,28)/p+2/t20-/m1/s1