(E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C22H25N2O4+ MolecularWeight: 381.4449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C[NH+]3CCCCC3

InChI

InChI=1S/C22H24N2O4/c1-28-22-11-9-18(15-19(22)16-23-12-3-2-4-13-23)21(25)10-8-17-6-5-7-20(14-17)24(26)27/h5-11,14-15H,2-4,12-13,16H2,1H3/p+1/b10-8+