[(E)-3-(2-nitrophenyl)prop-2-enyl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [(E)-3-(2-nitrophenyl)prop-2-enyl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(E)-3-(2-nitrophenyl)allyl]-phenethyl-ammonium CAS Name: [(E)-3-(2-nitrophenyl)prop-2-enyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]-phenethylazanium Traditional Name: benzyl-[(E)-3-(2-nitrophenyl)allyl]-phenethyl-ammonium Formula: C24H25N2O2+ MolecularWeight: 373.4675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC=CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](C/C=C/C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O2/c27-26(28)24-16-8-7-14-23(24)15-9-18-25(20-22-12-5-2-6-13-22)19-17-21-10-3-1-4-11-21/h1-16H,17-20H2/p+1/b15-9+