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

Systemtic Name: (E)-3-(3-nitrophenyl)-1-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC(=C2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H22N2O4/c24-20(9-7-16-5-4-6-19(13-16)23(26)27)17-8-10-21(25)18(14-17)15-22-11-2-1-3-12-22/h4-10,13-14,25H,1-3,11-12,15H2/p+1/b9-7+