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

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(4S)-thiochroman-4-yl]ammonium Formula: C18H30N2S+2 MolecularWeight: 306.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC[NH2+]C2CCSC3=CC=CC=C23

Isomeric SMILES

CC1CC[NH+](CC1)CCC[NH2+][C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C18H28N2S/c1-15-7-12-20(13-8-15)11-4-10-19-17-9-14-21-18-6-3-2-5-16(17)18/h2-3,5-6,15,17,19H,4,7-14H2,1H3/p+2/t17-/m0/s1