[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(3R)-chroman-3-yl]methanone CAS Name: [(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(3R)-3,4-dihydro-2H-chromen-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(3R)-chroman-3-yl]methanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@@H]3CC4=CC=CC=C4OC3

InChI

InChI=1S/C21H24N2O2/c24-21(19-14-18-8-4-5-9-20(18)25-16-19)23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,19H,10-16H2/p+1/t19-/m1/s1