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

Systemtic Name: (E)-3-(2-chlorophenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(2-chlorophenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(2-chlorophenyl)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2-chlorophenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(2-chlorophenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C22H25ClNO2+ MolecularWeight: 370.8924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=CC=C2Cl)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl)C[NH+]3CCCCC3

InChI

InChI=1S/C22H24ClNO2/c1-26-22-12-10-18(15-19(22)16-24-13-5-2-6-14-24)21(25)11-9-17-7-3-4-8-20(17)23/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3/p+1/b11-9+