3-[5-[(Z)-(3-ethyl-4-methyl-pyrrol-1-ium-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[5-[(Z)-(3-ethyl-4-methyl-pyrrol-1-ium-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-[(Z)-(3-ethyl-4-methyl-pyrrol-1-ium-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-[(Z)-(3-ethyl-4-methyl-2-pyrrol-1-iumylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-[(Z)-(3-ethyl-4-methylpyrrol-1-ium-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(Z)-(3-ethyl-4-methyl-pyrrol-1-ium-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=[NH+]C1=CC2=C(C(=C(N2)C)CCC(=O)O)C)C

Isomeric SMILES

CCC\1=C(C=[NH+]/C1=C\C2=C(C(=C(N2)C)CCC(=O)O)C)C

InChI

InChI=1S/C17H22N2O2/c1-5-13-10(2)9-18-16(13)8-15-11(3)14(12(4)19-15)6-7-17(20)21/h8-9,19H,5-7H2,1-4H3,(H,20,21)/p+1/b16-8-