2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(E)-2-cyano-1-oxo-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoxy]ethyl-trimethylammonium IUPAC Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]prop-2-enoyl]oxyethyl-trimethylazanium Traditional Name: 2-[(E)-2-cyano-3-[4-(1-phenylpropylamino)phenyl]acryloyl]oxyethyl-trimethyl-ammonium Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC2=CC=C(C=C2)C=C(C#N)C(=O)OCC[N+](C)(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)NC2=CC=C(C=C2)/C=C(\C#N)/C(=O)OCC[N+](C)(C)C

InChI

InChI=1S/C24H29N3O2/c1-5-23(20-9-7-6-8-10-20)26-22-13-11-19(12-14-22)17-21(18-25)24(28)29-16-15-27(2,3)4/h6-14,17,23H,5,15-16H2,1-4H3/p+1