(3S)-3-[(2-methoxy-4-methyl-phenoxy)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-[(2-methoxy-4-methyl-phenoxy)methyl]piperidin-1-ium Openeye Name: (3S)-3-[(2-methoxy-4-methyl-phenoxy)methyl]piperidin-1-ium CAS Name: (3S)-3-[(2-methoxy-4-methylphenoxy)methyl]piperidin-1-ium IUPAC Name: (3S)-3-[(2-methoxy-4-methylphenoxy)methyl]piperidin-1-ium Traditional Name: (3S)-3-[(2-methoxy-4-methyl-phenoxy)methyl]piperidin-1-ium Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2CCC[NH2+]C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H]2CCC[NH2+]C2)OC

InChI

InChI=1S/C14H21NO2/c1-11-5-6-13(14(8-11)16-2)17-10-12-4-3-7-15-9-12/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3/p+1/t12-/m0/s1