1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-(1-homoveratryl-2,5-dimethyl-pyrrol-3-yl)-2-morpholin-4-ium-4-yl-ethanone Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C22H30N2O4/c1-16-13-19(20(25)15-23-9-11-28-12-10-23)17(2)24(16)8-7-18-5-6-21(26-3)22(14-18)27-4/h5-6,13-14H,7-12,15H2,1-4H3/p+1