[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C21H24N2O2/c1-16-12-20(17(2)23(16)13-18-8-5-4-6-9-18)21(24)15-22(3)14-19-10-7-11-25-19/h4-12H,13-15H2,1-3H3/p+1