[4-[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [4-[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [4-[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxoethoxy]phenyl]methylazanium Traditional Name: [4-[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-keto-ethoxy]benzyl]ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)COC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)COC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H25N3O2/c1-2-19-9-3-4-14(19)11-18-16(20)12-21-15-7-5-13(10-17)6-8-15/h5-8,14H,2-4,9-12,17H2,1H3,(H,18,20)/p+2/t14-/m0/s1