3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)thiochromen-2-one

Systemtic Name: 3-azanyl-4-(4-methylpiperazin-4-ium-1-yl)thiochromen-2-one Openeye Name: 3-amino-4-(4-methylpiperazin-4-ium-1-yl)thiochromen-2-one CAS Name: 3-amino-4-(4-methyl-1-piperazin-4-iumyl)-1-benzothiopyran-2-one IUPAC Name: 3-amino-4-(4-methylpiperazin-4-ium-1-yl)thiochromen-2-one Traditional Name: 3-amino-4-(4-methylpiperazin-4-ium-1-yl)thiochromen-2-one Formula: C14H18N3OS+ MolecularWeight: 276.37722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)SC3=CC=CC=C32)N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)SC3=CC=CC=C32)N

InChI

InChI=1S/C14H17N3OS/c1-16-6-8-17(9-7-16)13-10-4-2-3-5-11(10)19-14(18)12(13)15/h2-5H,6-9,15H2,1H3/p+1