1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(2-pyrazol-1-ylethanoyl)piperidin-3-yl]propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3R)-1-(2-pyrazol-1-ylethanoyl)piperidin-3-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-pyrazol-1-ylacetyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3R)-1-[1-oxo-2-(1-pyrazolyl)ethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-pyrazol-1-ylacetyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3R)-1-(2-pyrazol-1-ylacetyl)-3-piperidyl]propan-1-one Formula: C24H34N5O2+ MolecularWeight: 424.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=CC=N2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C=CC=N2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N5O2/c30-23(27-16-14-26(15-17-27)18-21-6-2-1-3-7-21)10-9-22-8-4-12-28(19-22)24(31)20-29-13-5-11-25-29/h1-3,5-7,11,13,22H,4,8-10,12,14-20H2/p+1/t22-/m1/s1