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

Systemtic Name: [(3S,4R)-4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium Openeye Name: [(3S,4R)-1-tert-butoxycarbonyl-4-(3-methoxyphenyl)-3-piperidyl]ammonium CAS Name: [(3S,4R)-4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinyl]ammonium IUPAC Name: [(3S,4R)-4-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]azanium Traditional Name: [(3S,4R)-1-tert-butoxycarbonyl-4-(3-methoxyphenyl)-3-piperidyl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)[NH3+])C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)[NH3+])C2=CC(=CC=C2)OC

InChI

InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-9-8-14(15(18)11-19)12-6-5-7-13(10-12)21-4/h5-7,10,14-15H,8-9,11,18H2,1-4H3/p+1/t14-,15-/m1/s1