2-[5-(4-methoxyphenyl)carbonyl-1-methyl-1-propyl-pyrrol-1-ium-3-yl]ethanamide

Systemtic Name: 2-[5-(4-methoxyphenyl)carbonyl-1-methyl-1-propyl-pyrrol-1-ium-3-yl]ethanamide Openeye Name: 2-[5-(4-methoxybenzoyl)-1-methyl-1-propyl-pyrrol-1-ium-3-yl]acetamide CAS Name: 2-[5-[(4-methoxyphenyl)-oxomethyl]-1-methyl-1-propyl-3-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[5-(4-methoxybenzoyl)-1-methyl-1-propylpyrrol-1-ium-3-yl]acetamide Traditional Name: 2-(1-methyl-5-p-anisoyl-1-propyl-pyrrol-1-ium-3-yl)acetamide Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=C(C=C1C(=O)C2=CC=C(C=C2)OC)CC(=O)N)C

Isomeric SMILES

CCC[N+]1(C=C(C=C1C(=O)C2=CC=C(C=C2)OC)CC(=O)N)C

InChI

InChI=1S/C18H22N2O3/c1-4-9-20(2)12-13(11-17(19)21)10-16(20)18(22)14-5-7-15(23-3)8-6-14/h5-8,10,12H,4,9,11H2,1-3H3,(H-,19,21)/p+1