ethyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]ammonium CAS Name: ethyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]azanium Traditional Name: benzyl-[2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-ethyl-ammonium Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C19H24N2O3/c1-5-21(11-15-9-7-6-8-10-15)12-16(22)18-13(2)17(14(3)20-18)19(23)24-4/h6-10,20H,5,11-12H2,1-4H3/p+1