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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]C2CCSC3=CC=CC=C23

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C18H28N2S/c1-15-7-4-5-12-20(15)13-6-11-19-17-10-14-21-18-9-3-2-8-16(17)18/h2-3,8-9,15,17,19H,4-7,10-14H2,1H3/p+2/t15-,17+/m0/s1