3-[4-[4-(diethylamino)phenyl]-1,3-benzothiazol-3-ium-3-yl]propanamide

Systemtic Name: 3-[4-[4-(diethylamino)phenyl]-1,3-benzothiazol-3-ium-3-yl]propanamide Openeye Name: 3-[4-[4-(diethylamino)phenyl]-1,3-benzothiazol-3-ium-3-yl]propanamide CAS Name: 3-[4-[4-(diethylamino)phenyl]-1,3-benzothiazol-3-ium-3-yl]propanamide IUPAC Name: 3-[4-[4-(diethylamino)phenyl]-1,3-benzothiazol-3-ium-3-yl]propanamide Traditional Name: 3-[4-[4-(diethylamino)phenyl]-1,3-benzothiazol-3-ium-3-yl]propionamide Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=C3C(=CC=C2)SC=[N+]3CCC(=O)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=C3C(=CC=C2)SC=[N+]3CCC(=O)N

InChI

InChI=1S/C20H23N3OS/c1-3-22(4-2)16-10-8-15(9-11-16)17-6-5-7-18-20(17)23(14-25-18)13-12-19(21)24/h5-11,14H,3-4,12-13H2,1-2H3,(H-,21,24)/p+1