3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H31N5O+2 MolecularWeight: 321.46094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=NC=CN3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=NC=CN3

InChI

InChI=1S/C17H29N5O/c1-20-9-11-22(12-10-20)17(23)5-4-15-3-2-8-21(13-15)14-16-18-6-7-19-16/h6-7,15H,2-5,8-14H2,1H3,(H,18,19)/p+2/t15-/m1/s1