1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-pyridin-3-ylcarbonylpiperidin-3-yl]propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-pyridin-3-ylcarbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(pyridine-3-carbonyl)-3-piperidyl]propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-[(3R)-1-[oxo(3-pyridinyl)methyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-[(3R)-1-nicotinoyl-3-piperidyl]propan-1-one Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H28N4O2/c1-21-10-12-22(13-11-21)18(24)7-6-16-4-3-9-23(15-16)19(25)17-5-2-8-20-14-17/h2,5,8,14,16H,3-4,6-7,9-13,15H2,1H3/p+1/t16-/m1/s1