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

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[(4S)-thiochroman-4-yl]ammonium Formula: C17H29N3S+2 MolecularWeight: 307.49726

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]C2CCSC3=CC=CC=C23

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+][C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H27N3S/c1-19-10-12-20(13-11-19)9-4-8-18-16-7-14-21-17-6-3-2-5-15(16)17/h2-3,5-6,16,18H,4,7-14H2,1H3/p+2/t16-/m0/s1