(4-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-methyl-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]azanium Openeye Name: [2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: [2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-keto-ethyl]-methyl-p-anisyl-ammonium Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-24(14-19-8-10-21(27-2)11-9-19)17-22(26)23-20-12-13-25(16-20)15-18-6-4-3-5-7-18/h3-11,20H,12-17H2,1-2H3,(H,23,26)/p+2/t20-/m0/s1