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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C21H22ClN2O4+ MolecularWeight: 401.86338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-28-21-9-6-16(13-17(21)14-23-10-2-3-11-23)20(25)8-5-15-4-7-18(22)19(12-15)24(26)27/h4-9,12-13H,2-3,10-11,14H2,1H3/p+1/b8-5+