2-(2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)ethyl-diethyl-azanium

Systemtic Name: 2-(2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)ethyl-diethyl-azanium Openeye Name: 2-(5-benzyloxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)ethyl-diethyl-ammonium CAS Name: 2-(2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)ethyl-diethylammonium IUPAC Name: 2-(2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrol-3-yl)ethyl-diethylazanium Traditional Name: 2-(5-carbobenzoxy-2,4-dimethyl-1H-pyrrol-3-yl)ethyl-diethyl-ammonium Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC[NH+](CC)CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H28N2O2/c1-5-22(6-2)13-12-18-15(3)19(21-16(18)4)20(23)24-14-17-10-8-7-9-11-17/h7-11,21H,5-6,12-14H2,1-4H3/p+1