2-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone Openeye Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone CAS Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone Traditional Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=C2CCCC3)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=C2CCCC3)N

InChI

InChI=1S/C16H18N2O2S/c1-20-12-8-6-11(7-9-12)14(19)10-18-13-4-2-3-5-15(13)21-16(18)17/h6-9,17H,2-5,10H2,1H3/p+1