[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[3-ethoxy-4-(3-pyridylmethoxy)phenyl]methanone CAS Name: [3-ethoxy-4-(3-pyridinylmethoxy)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[3-ethoxy-4-(3-pyridylmethoxy)phenyl]methanone Formula: C28H32N3O3+ MolecularWeight: 458.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-2-33-27-20-25(12-13-26(27)34-22-24-10-6-14-29-21-24)28(32)31-18-16-30(17-19-31)15-7-11-23-8-4-3-5-9-23/h3-14,20-21H,2,15-19,22H2,1H3/p+1/b11-7+