(3S)-3-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-phenyl-isochroman-1-one CAS Name: (3S)-6-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-phenyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3S)-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-phenyl-isochroman-1-one Formula: C29H29N2O3+ MolecularWeight: 453.55216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c32-28(31-18-16-30(17-19-31)15-7-10-22-8-3-1-4-9-22)24-13-14-26-25(20-24)21-27(34-29(26)33)23-11-5-2-6-12-23/h1-14,20,27H,15-19,21H2/p+1/b10-7+/t27-/m0/s1