3-[(3R)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C20H37N5O+2 MolecularWeight: 363.54068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCCC(C2)CCC(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H35N5O/c1-4-25-17(2)19(14-21-25)16-23-9-5-6-18(15-23)7-8-20(26)24-12-10-22(3)11-13-24/h14,18H,4-13,15-16H2,1-3H3/p+2/t18-/m1/s1