(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-azanium

Systemtic Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-azanium Openeye Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-ammonium CAS Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenylammonium IUPAC Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenylazanium Traditional Name: (5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-ammonium Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]C2=CC=CC=C2)C

InChI

InChI=1S/C16H20N2O2/c1-4-20-16(19)15-11(2)14(12(3)18-15)10-17-13-8-6-5-7-9-13/h5-9,17-18H,4,10H2,1-3H3/p+1