(3,6-dimethyl-1-benzofuran-2-yl)-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]methanone

Systemtic Name: (3,6-dimethyl-1-benzofuran-2-yl)-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]methanone Openeye Name: (3,6-dimethylbenzofuran-2-yl)-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]methanone CAS Name: (3,6-dimethyl-2-benzofuranyl)-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: (3,6-dimethyl-1-benzofuran-2-yl)-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Traditional Name: (3,6-dimethylbenzofuran-2-yl)-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]methanone Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N3CCC(C(C3)O)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N3CC[C@H]([C@@H](C3)O)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C21H29N3O3/c1-14-4-5-16-15(2)20(27-19(16)12-14)21(26)24-7-6-17(18(25)13-24)23-10-8-22(3)9-11-23/h4-5,12,17-18,25H,6-11,13H2,1-3H3/p+1/t17-,18-/m1/s1