[(Z,3Z)-2-cyano-3-(4-ethoxycarbonyl-5-methyl-3-oxidanylidene-1H-pyrrol-2-ylidene)-1-(4-methylpiperazin-1-yl)prop-1-enyl]azanium

Systemtic Name: [(Z,3Z)-2-cyano-3-(4-ethoxycarbonyl-5-methyl-3-oxidanylidene-1H-pyrrol-2-ylidene)-1-(4-methylpiperazin-1-yl)prop-1-enyl]azanium Openeye Name: [(Z,3Z)-2-cyano-3-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)-1-(4-methylpiperazin-1-yl)prop-1-enyl]ammonium CAS Name: [(Z,3Z)-2-cyano-3-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)-1-(4-methyl-1-piperazinyl)prop-1-enyl]ammonium IUPAC Name: [(Z,3Z)-2-cyano-3-(4-ethoxycarbonyl-5-methyl-3-oxo-1H-pyrrol-2-ylidene)-1-(4-methylpiperazin-1-yl)prop-1-enyl]azanium Traditional Name: [(Z,3Z)-3-(4-carbethoxy-3-keto-5-methyl-2-pyrrolin-2-ylidene)-2-cyano-1-(4-methylpiperazino)prop-1-enyl]ammonium Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC(=C([NH3+])N2CCN(CC2)C)C#N)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C\C(=C(/[NH3+])\N2CCN(CC2)C)\C#N)/C1=O)C

InChI

InChI=1S/C17H23N5O3/c1-4-25-17(24)14-11(2)20-13(15(14)23)9-12(10-18)16(19)22-7-5-21(3)6-8-22/h9,20H,4-8,19H2,1-3H3/p+1/b13-9-,16-12-