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

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-en-1-one Formula: C24H30NO4+ MolecularWeight: 396.4993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4/c1-27-22-13-11-19(16-20(22)17-25-14-5-4-6-15-25)21(26)12-10-18-8-7-9-23(28-2)24(18)29-3/h7-13,16H,4-6,14-15,17H2,1-3H3/p+1/b12-10+