[1-[(3R)-3-oxidanyl-3-(4-propan-2-ylphenyl)propyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(3R)-3-oxidanyl-3-(4-propan-2-ylphenyl)propyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(3R)-3-hydroxy-3-(4-isopropylphenyl)propyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(3R)-3-hydroxy-3-(4-propan-2-ylphenyl)propyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(3R)-3-hydroxy-3-(4-propan-2-ylphenyl)propyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(3R)-3-hydroxy-3-p-cumenyl-propyl]piperidin-1-ium-4-yl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC[NH+]2CCC(CC2)[NH3+])O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](CC[NH+]2CCC(CC2)[NH3+])O

InChI

InChI=1S/C17H28N2O/c1-13(2)14-3-5-15(6-4-14)17(20)9-12-19-10-7-16(18)8-11-19/h3-6,13,16-17,20H,7-12,18H2,1-2H3/p+2/t17-/m1/s1