(3S)-3-[(4-methylphenoxy)methyl]pyrrolidin-1-ium

Systemtic Name: (3S)-3-[(4-methylphenoxy)methyl]pyrrolidin-1-ium Openeye Name: (3S)-3-[(4-methylphenoxy)methyl]pyrrolidin-1-ium CAS Name: (3S)-3-[(4-methylphenoxy)methyl]pyrrolidin-1-ium IUPAC Name: (3S)-3-[(4-methylphenoxy)methyl]pyrrolidin-1-ium Traditional Name: (3S)-3-[(4-methylphenoxy)methyl]pyrrolidin-1-ium Formula: C12H18NO+ MolecularWeight: 192.27742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2CC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO/c1-10-2-4-12(5-3-10)14-9-11-6-7-13-8-11/h2-5,11,13H,6-9H2,1H3/p+1/t11-/m0/s1