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

Systemtic Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]ammonium CAS Name: (5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]azanium Traditional Name: benzyl-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]ammonium Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]CC2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2O2/c1-4-21-17(20)16-12(2)15(13(3)19-16)11-18-10-14-8-6-5-7-9-14/h5-9,18-19H,4,10-11H2,1-3H3/p+1