2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: 2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]ethyl-benzyl-methyl-ammonium CAS Name: 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: 2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]ethyl-benzyl-methylazanium Traditional Name: 2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]ethyl-benzyl-methyl-ammonium Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)NCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O2/c1-13-17(15(3)23)14(2)21-18(13)19(24)20-10-11-22(4)12-16-8-6-5-7-9-16/h5-9,21H,10-12H2,1-4H3,(H,20,24)/p+1