[(4S)-4-(1,3-benzothiazol-2-ylamino)pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-(1,3-benzothiazol-2-ylamino)pentyl]-diethyl-azanium Openeye Name: [(4S)-4-(1,3-benzothiazol-2-ylamino)pentyl]-diethyl-ammonium CAS Name: [(4S)-4-(1,3-benzothiazol-2-ylamino)pentyl]-diethylammonium IUPAC Name: [(4S)-4-(1,3-benzothiazol-2-ylamino)pentyl]-diethylazanium Traditional Name: [(4S)-4-(1,3-benzothiazol-2-ylamino)pentyl]-diethyl-ammonium Formula: C16H26N3S+ MolecularWeight: 292.46274

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H25N3S/c1-4-19(5-2)12-8-9-13(3)17-16-18-14-10-6-7-11-15(14)20-16/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,17,18)/p+1/t13-/m0/s1