[(3R)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(3R)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(3R)-6-chlorochroman-3-yl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(3R)-6-chlorochroman-3-yl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H22ClN2O2S+ MolecularWeight: 377.90818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C19H21ClN2O2S/c20-17-1-2-18-15(10-17)9-16(12-24-18)19(23)22-6-4-21(5-7-22)11-14-3-8-25-13-14/h1-3,8,10,13,16H,4-7,9,11-12H2/p+1/t16-/m1/s1