2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(4-pyridin-1-iumyl)-1-piperazinyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-pyridin-1-ium-4-ylpiperazino)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)OCC#N

InChI

InChI=1S/C21H22N4O3/c1-27-20-16-17(2-4-19(20)28-15-8-22)3-5-21(26)25-13-11-24(12-14-25)18-6-9-23-10-7-18/h2-7,9-10,16H,11-15H2,1H3/p+1/b5-3+