1-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]piperidin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)CCC(C)[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)O[C@H](C)CC[C@H](C)[NH+]2CCCCC2

InChI

InChI=1S/C18H29NO/c1-15-7-11-18(12-8-15)20-17(3)10-9-16(2)19-13-5-4-6-14-19/h7-8,11-12,16-17H,4-6,9-10,13-14H2,1-3H3/p+1/t16-,17+/m0/s1