2-[(2S,4S)-4-(3-methylbutyl)-2-propan-2-yl-oxan-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(2S,4S)-4-(3-methylbutyl)-2-propan-2-yl-oxan-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(2S,4S)-4-isopentyl-2-isopropyl-tetrahydropyran-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(2S,4S)-4-(3-methylbutyl)-2-propan-2-yl-4-oxanyl]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(2S,4S)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(2S,4S)-4-isoamyl-2-isopropyl-tetrahydropyran-4-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C20H39N2O2+ MolecularWeight: 339.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCOC(C1)C(C)C)CC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)CC[C@@]1(CCO[C@@H](C1)C(C)C)CC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C20H38N2O2/c1-16(2)6-7-20(8-13-24-18(14-20)17(3)4)15-19(23)22-11-9-21(5)10-12-22/h16-18H,6-15H2,1-5H3/p+1/t18-,20-/m0/s1