1-[(2S,5R)-5-(2-methylphenoxy)hexan-2-yl]piperidin-1-ium

Systemtic Name: 1-[(2S,5R)-5-(2-methylphenoxy)hexan-2-yl]piperidin-1-ium Openeye Name: 1-[(1S,4R)-1-methyl-4-(2-methylphenoxy)pentyl]piperidin-1-ium CAS Name: 1-[(2S,5R)-5-(2-methylphenoxy)hexan-2-yl]piperidin-1-ium IUPAC Name: 1-[(2S,5R)-5-(2-methylphenoxy)hexan-2-yl]piperidin-1-ium Traditional Name: 1-[(1S,4R)-1-methyl-4-(2-methylphenoxy)pentyl]piperidin-1-ium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C)CCC(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=CC=C1O[C@H](C)CC[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C18H29NO/c1-15-9-5-6-10-18(15)20-17(3)12-11-16(2)19-13-7-4-8-14-19/h5-6,9-10,16-17H,4,7-8,11-14H2,1-3H3/p+1/t16-,17+/m0/s1