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

Systemtic Name: [1-[(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-(5-allyl-2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-phenyl-methanone Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C23H27NO3/c1-3-7-17-14-20(23(26)21(15-17)27-2)16-24-12-10-19(11-13-24)22(25)18-8-5-4-6-9-18/h3-6,8-9,14-15,19,26H,1,7,10-13,16H2,2H3/p+1