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

Systemtic Name: (E)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-methoxy-3-(pyrrolidin-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:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C[NH+]3CCCC3

InChI

InChI=1S/C21H22N2O4/c1-27-21-10-8-17(14-18(21)15-22-11-2-3-12-22)20(24)9-7-16-5-4-6-19(13-16)23(25)26/h4-10,13-14H,2-3,11-12,15H2,1H3/p+1/b9-7+