(6-methoxycarbonyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)-dipropyl-azanium

Systemtic Name: (6-methoxycarbonyl-3-oxidanylidene-4H-1,4-benzothiazin-2-yl)-dipropyl-azanium Openeye Name: (6-methoxycarbonyl-3-oxo-4H-1,4-benzothiazin-2-yl)-dipropyl-ammonium CAS Name: (6-methoxycarbonyl-3-oxo-4H-1,4-benzothiazin-2-yl)-dipropylammonium IUPAC Name: (6-methoxycarbonyl-3-oxo-4H-1,4-benzothiazin-2-yl)-dipropylazanium Traditional Name: (6-carbomethoxy-3-keto-4H-1,4-benzothiazin-2-yl)-dipropyl-ammonium Formula: C16H23N2O3S+ MolecularWeight: 323.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC

Isomeric SMILES

CCC[NH+](CCC)C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H22N2O3S/c1-4-8-18(9-5-2)15-14(19)17-12-10-11(16(20)21-3)6-7-13(12)22-15/h6-7,10,15H,4-5,8-9H2,1-3H3,(H,17,19)/p+1