1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(4-hydroxy-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)ethanone Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C21H28N2O2/c1-16-14-20(21(25)15-22-11-9-19(24)10-12-22)17(2)23(16)13-8-18-6-4-3-5-7-18/h3-7,14,19,24H,8-13,15H2,1-2H3/p+1