[(2S)-1-[(1-ethoxycarbonylpiperidin-4-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(1-ethoxycarbonylpiperidin-4-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(1-ethoxycarbonyl-4-piperidyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[(1-ethoxycarbonyl-4-piperidinyl)amino]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(1-ethoxycarbonylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(1-carbethoxy-4-piperidyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C13H26N3O3+ MolecularWeight: 272.36384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C13H25N3O3/c1-4-19-13(18)16-7-5-10(6-8-16)15-12(17)11(14)9(2)3/h9-11H,4-8,14H2,1-3H3,(H,15,17)/p+1/t11-/m0/s1