3-[(3R)-1-(1-benzofuran-2-ylcarbonyl)piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(1-benzofuran-2-ylcarbonyl)piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(benzofuran-2-carbonyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[2-benzofuranyl(oxo)methyl]-3-piperidinyl]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(3R)-1-(1-benzofuran-2-carbonyl)piperidin-3-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(benzofuran-2-carbonyl)-3-piperidyl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCC2CCCN(C2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H29N3O3/c1-23-11-13-24(14-12-23)21(26)9-8-17-5-4-10-25(16-17)22(27)20-15-18-6-2-3-7-19(18)28-20/h2-3,6-7,15,17H,4-5,8-14,16H2,1H3/p+1/t17-/m1/s1