dimethyl-[(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-[(1-tert-butoxycarbonylpiperidine-4-carbonyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-2-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[(1-tert-butoxycarbonylisonipecotoyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H33N3O3/c1-21(2,3)27-20(26)24-13-11-17(12-14-24)19(25)22-18(15-23(4)5)16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3,(H,22,25)/p+1/t18-/m1/s1