[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: 3-pyrrolidin-1-ium-1-ylpropyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: 3-pyrrolidin-1-ium-1-ylpropyl-[(4S)-thiochroman-4-yl]ammonium Formula: C16H26N2S+2 MolecularWeight: 278.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC[NH2+]C2CCSC3=CC=CC=C23

Isomeric SMILES

C1CC[NH+](C1)CCC[NH2+][C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C16H24N2S/c1-2-7-16-14(6-1)15(8-13-19-16)17-9-5-12-18-10-3-4-11-18/h1-2,6-7,15,17H,3-5,8-13H2/p+2/t15-/m0/s1