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

Systemtic Name: [(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-6-chlorochroman-3-yl]methanone CAS Name: [(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[(3S)-6-chlorochroman-3-yl]methanone Formula: C21H24ClN2O2+ MolecularWeight: 371.88046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O2/c22-19-6-7-20-17(13-19)12-18(15-26-20)21(25)24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,13,18H,8-12,14-15H2/p+1/t18-/m0/s1