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

Systemtic Name: [(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(3S)-6-chlorochroman-3-yl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(3S)-6-chlorochroman-3-yl]-[4-(2-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=CC=CS2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C19H21ClN2O2S/c20-16-3-4-18-14(11-16)10-15(13-24-18)19(23)22-7-5-21(6-8-22)12-17-2-1-9-25-17/h1-4,9,11,15H,5-8,10,12-13H2/p+1/t15-/m0/s1