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

Systemtic Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]prop-2-en-1-one Formula: C25H34NO3+ MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)C[NH+]5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)C[NH+]5CCOCC5

InChI

InChI=1S/C25H33NO3/c1-28-23-4-2-18(13-22(23)17-26-6-8-29-9-7-26)3-5-24(27)25-14-19-10-20(15-25)12-21(11-19)16-25/h2-5,13,19-21H,6-12,14-17H2,1H3/p+1/b5-3+