3-[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C22H31N4O+ MolecularWeight: 367.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C22H30N4O/c27-22(25-13-1-2-14-25)10-9-19-6-4-12-24(17-19)18-21-8-5-15-26(21)20-7-3-11-23-16-20/h3,5,7-8,11,15-16,19H,1-2,4,6,9-10,12-14,17-18H2/p+1/t19-/m1/s1