N-[(1S,2S)-1-(benzotriazol-1-yl)-2-(4-chlorophenyl)sulfanyl-propyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(1S,2S)-1-(benzotriazol-1-yl)-2-(4-chlorophenyl)sulfanyl-propyl]pyridin-1-ium-2-amine Openeye Name: N-[(1S,2S)-1-(benzotriazol-1-yl)-2-(4-chlorophenyl)sulfanyl-propyl]pyridin-1-ium-2-amine CAS Name: N-[(1S,2S)-1-(1-benzotriazolyl)-2-[(4-chlorophenyl)thio]propyl]-2-pyridin-1-iumamine IUPAC Name: N-[(1S,2S)-1-(benzotriazol-1-yl)-2-(4-chlorophenyl)sulfanylpropyl]pyridin-1-ium-2-amine Traditional Name: [(1S,2S)-1-(benzotriazol-1-yl)-2-[(4-chlorophenyl)thio]propyl]-pyridin-1-ium-2-yl-amine Formula: C20H19ClN5S+ MolecularWeight: 396.91636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(NC1=CC=CC=[NH+]1)N2C3=CC=CC=C3N=N2)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@@H]([C@@H](NC1=CC=CC=[NH+]1)N2C3=CC=CC=C3N=N2)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5S/c1-14(27-16-11-9-15(21)10-12-16)20(23-19-8-4-5-13-22-19)26-18-7-3-2-6-17(18)24-25-26/h2-14,20H,1H3,(H,22,23)/p+1/t14-,20-/m0/s1