[(Z,3Z)-2-cyano-3-(4-ethoxycarbonyl-5-methyl-3-oxidanylidene-1H-pyrrol-2-ylidene)-1-(4-phenylpiperazin-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-phenylpiperazin-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-phenylpiperazin-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-phenyl-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-phenylpiperazin-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-phenylpiperazino)prop-1-enyl]ammonium Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=CC(=C([NH3+])N2CCN(CC2)C3=CC=CC=C3)C#N)C1=O)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C\C(=C(/[NH3+])\N2CCN(CC2)C3=CC=CC=C3)\C#N)/C1=O)C

InChI

InChI=1S/C22H25N5O3/c1-3-30-22(29)19-15(2)25-18(20(19)28)13-16(14-23)21(24)27-11-9-26(10-12-27)17-7-5-4-6-8-17/h4-8,13,25H,3,9-12,24H2,1-2H3/p+1/b18-13-,21-16-