2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4S)-2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)-4-oxanyl]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4S)-2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCOC(C2)(C)C)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1[C@]2(CCOC(C2)(C)C)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H32N2O2/c1-17-7-5-6-8-18(17)21(9-14-25-20(2,3)16-21)15-19(24)23-12-10-22(4)11-13-23/h5-8H,9-16H2,1-4H3/p+1/t21-/m1/s1