1-(4-methylpiperazin-4-ium-1-yl)-2-[(2R,4R)-4-(phenylmethyl)-2-propan-2-yl-oxan-4-yl]ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(2R,4R)-4-(phenylmethyl)-2-propan-2-yl-oxan-4-yl]ethanone Openeye Name: 2-[(2R,4R)-4-benzyl-2-isopropyl-tetrahydropyran-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[(2R,4R)-4-(phenylmethyl)-2-propan-2-yl-4-oxanyl]ethanone IUPAC Name: 2-[(2R,4R)-4-benzyl-2-propan-2-yloxan-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(2R,4R)-4-benzyl-2-isopropyl-tetrahydropyran-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCO1)(CC2=CC=CC=C2)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)[C@H]1C[C@](CCO1)(CC2=CC=CC=C2)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H34N2O2/c1-18(2)20-16-22(9-14-26-20,15-19-7-5-4-6-8-19)17-21(25)24-12-10-23(3)11-13-24/h4-8,18,20H,9-17H2,1-3H3/p+1/t20-,22+/m1/s1