(3R)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3R)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3R)-3-(4-benzylpiperazin-4-ium-1-carbonyl)isochroman-1-one CAS Name: (3R)-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-3,4-dihydroisochromen-1-one Traditional Name: (3R)-3-(4-benzylpiperazin-4-ium-1-carbonyl)isochroman-1-one Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O3/c24-20(19-14-17-8-4-5-9-18(17)21(25)26-19)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2/p+1/t19-/m1/s1