3-[[4-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 3-[[4-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[4-[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[4-[(3R)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-pyrrolidin-1-iumyl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[4-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[4-[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C22H35N5+2 MolecularWeight: 369.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H33N5/c1-18(2)27-16-20(13-24-27)15-26-11-7-22(17-26)21-5-9-25(10-6-21)14-19-4-3-8-23-12-19/h3-4,8,12-13,16,18,21-22H,5-7,9-11,14-15,17H2,1-2H3/p+2/t22-/m0/s1