tert-butyl-[3-[[(2R)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azaniumyl]propyl]azanium

Systemtic Name: tert-butyl-[3-[[(2R)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azaniumyl]propyl]azanium Openeye Name: tert-butyl-[3-[[(1R)-3-(2-methoxyanilino)-1-methyl-3-oxo-propyl]ammonio]propyl]ammonium CAS Name: tert-butyl-[3-[[(2R)-4-(2-methoxyanilino)-4-oxobutan-2-yl]ammonio]propyl]ammonium IUPAC Name: tert-butyl-[3-[[(2R)-4-(2-methoxyanilino)-4-oxobutan-2-yl]azaniumyl]propyl]azanium Traditional Name: tert-butyl-[3-[[(1R)-3-keto-1-methyl-3-(o-anisidino)propyl]ammonio]propyl]ammonium Formula: C18H33N3O2+2 MolecularWeight: 323.47352

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1OC)[NH2+]CCC[NH2+]C(C)(C)C

Isomeric SMILES

C[C@H](CC(=O)NC1=CC=CC=C1OC)[NH2+]CCC[NH2+]C(C)(C)C

InChI

InChI=1S/C18H31N3O2/c1-14(19-11-8-12-20-18(2,3)4)13-17(22)21-15-9-6-7-10-16(15)23-5/h6-7,9-10,14,19-20H,8,11-13H2,1-5H3,(H,21,22)/p+2/t14-/m1/s1