[1-[(3R)-3-(4-tert-butylphenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(3R)-3-(4-tert-butylphenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(3R)-3-(4-tert-butylphenyl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(3R)-3-(4-tert-butylphenyl)-3-hydroxypropyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(3R)-3-(4-tert-butylphenyl)-3-hydroxypropyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(3R)-3-(4-tert-butylphenyl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-18(2,3)15-6-4-14(5-7-15)17(21)10-13-20-11-8-16(19)9-12-20/h4-7,16-17,21H,8-13,19H2,1-3H3/p+2/t17-/m1/s1