1-[4-[4-[(5-methoxy-2-oxidanyl-3-prop-2-enyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-methoxy-2-oxidanyl-3-prop-2-enyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-allyl-2-hydroxy-5-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2-hydroxy-5-methoxy-3-prop-2-enylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-hydroxy-5-methoxy-3-prop-2-enylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-allyl-2-hydroxy-5-methoxy-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)OC)CC=C)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C(=CC(=C3)OC)CC=C)O

InChI

InChI=1S/C23H28N2O3/c1-4-5-19-14-22(28-3)15-20(23(19)27)16-24-10-12-25(13-11-24)21-8-6-18(7-9-21)17(2)26/h4,6-9,14-15,27H,1,5,10-13,16H2,2-3H3/p+1