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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCN(CC2[NH3+])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@H]2CCN(C[C@H]2[NH3+])C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26N2O2/c1-12-7-5-6-8-13(12)14-9-10-19(11-15(14)18)16(20)21-17(2,3)4/h5-8,14-15H,9-11,18H2,1-4H3/p+1/t14-,15-/m1/s1