[(Z)-[1-[(3-heptanoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium

Systemtic Name: [(Z)-[1-[(3-heptanoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium Openeye Name: [(Z)-[1-[(3-heptanoylpyridin-1-ium-1-yl)methoxymethyl]-2-pyridylidene]methyl]-oxo-ammonium CAS Name: oxo-[(Z)-[1-[[3-(1-oxoheptyl)-1-pyridin-1-iumyl]methoxymethyl]-2-pyridinylidene]methyl]ammonium IUPAC Name: [(Z)-[1-[(3-heptanoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium Traditional Name: [(Z)-[1-[(3-enanthylpyridin-1-ium-1-yl)methoxymethyl]-2-pyridylidene]methyl]-keto-ammonium Formula: C20H27N3O3+2 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=C[N+](=CC=C1)COCN2C=CC=CC2=C[NH+]=O

Isomeric SMILES

CCCCCCC(=O)C1=C[N+](=CC=C1)COCN\2C=CC=C/C2=C/[NH+]=O

InChI

InChI=1S/C20H26N3O3/c1-2-3-4-5-11-20(24)18-9-8-12-22(15-18)16-26-17-23-13-7-6-10-19(23)14-21-25/h6-10,12-15H,2-5,11,16-17H2,1H3/q+1/p+1/b19-14-