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

Systemtic Name: 2-[1-(2-diethylaminoethyl)-5-(4-methoxyphenyl)carbonyl-1-methyl-pyrrol-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-diethylaminoethyl)-5-(4-methoxybenzoyl)-1-methyl-pyrrol-1-ium-2-yl]acetamide CAS Name: 2-[1-(2-diethylaminoethyl)-5-[(4-methoxyphenyl)-oxomethyl]-1-methyl-2-pyrrol-1-iumyl]acetamide IUPAC Name: 2-[1-(2-diethylaminoethyl)-5-(4-methoxybenzoyl)-1-methylpyrrol-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-diethylaminoethyl)-1-methyl-5-p-anisoyl-pyrrol-1-ium-2-yl]acetamide Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-5-23(6-2)13-14-24(3)17(15-20(22)25)9-12-19(24)21(26)16-7-10-18(27-4)11-8-16/h7-12H,5-6,13-15H2,1-4H3,(H-,22,25)/p+1