methyl-[(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-3-yl]azanium

Systemtic Name: methyl-[(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidin-3-yl]azanium Openeye Name: [(3R,4S)-1-tert-butoxycarbonyl-4-phenyl-3-piperidyl]-methyl-ammonium CAS Name: methyl-[(3R,4S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-3-piperidinyl]ammonium IUPAC Name: methyl-[(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidin-3-yl]azanium Traditional Name: [(3R,4S)-1-tert-butoxycarbonyl-4-phenyl-3-piperidyl]-methyl-ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)[NH2+]C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)[NH2+]C)C2=CC=CC=C2

InChI

InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-10-14(15(12-19)18-4)13-8-6-5-7-9-13/h5-9,14-15,18H,10-12H2,1-4H3/p+1/t14-,15-/m0/s1