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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-propylpyridin-1-ium-1-yl)ethanone Formula: C24H29N2O+ MolecularWeight: 361.49986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C24H29N2O/c1-4-8-21-11-14-25(15-12-21)18-24(27)23-17-19(2)26(20(23)3)16-13-22-9-6-5-7-10-22/h5-7,9-12,14-15,17H,4,8,13,16,18H2,1-3H3/q+1