[(3R)-1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3R)-1-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-yl]methylazanium Openeye Name: [(3R)-1-[2-(3-methoxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-yl]methylammonium CAS Name: [(3R)-1-[2-(3-methoxyanilino)-2-oxoethyl]-3-piperidin-1-iumyl]methylammonium IUPAC Name: [(3R)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidin-1-ium-3-yl]methylazanium Traditional Name: [(3R)-1-[2-keto-2-(m-anisidino)ethyl]piperidin-1-ium-3-yl]methylammonium Formula: C15H25N3O2+2 MolecularWeight: 279.3779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCCC(C2)C[NH3+]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCC[C@@H](C2)C[NH3+]

InChI

InChI=1S/C15H23N3O2/c1-20-14-6-2-5-13(8-14)17-15(19)11-18-7-3-4-12(9-16)10-18/h2,5-6,8,12H,3-4,7,9-11,16H2,1H3,(H,17,19)/p+2/t12-/m1/s1