4-[(3R,4S)-3-methylpiperidin-1-ium-4-yl]phenol

Systemtic Name: 4-[(3R,4S)-3-methylpiperidin-1-ium-4-yl]phenol Openeye Name: 4-[(3R,4S)-3-methylpiperidin-1-ium-4-yl]phenol CAS Name: 4-[(3R,4S)-3-methyl-4-piperidin-1-iumyl]phenol IUPAC Name: 4-[(3R,4S)-3-methylpiperidin-1-ium-4-yl]phenol Traditional Name: 4-[(3R,4S)-3-methylpiperidin-1-ium-4-yl]phenol Formula: C12H18NO+ MolecularWeight: 192.27742

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CCC1C2=CC=C(C=C2)O

Isomeric SMILES

C[C@H]1C[NH2+]CC[C@@H]1C2=CC=C(C=C2)O

InChI

InChI=1S/C12H17NO/c1-9-8-13-7-6-12(9)10-2-4-11(14)5-3-10/h2-5,9,12-14H,6-8H2,1H3/p+1/t9-,12-/m0/s1