[(4S,5S)-2-azanyl-4-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-5-yl]-phenyl-methanone

Systemtic Name: [(4S,5S)-2-azanyl-4-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-5-yl]-phenyl-methanone Openeye Name: [(4S,5S)-2-amino-4-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-5-yl]-phenyl-methanone CAS Name: [(4S,5S)-2-amino-4-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-5-yl]-phenylmethanone IUPAC Name: [(4S,5S)-2-amino-4-(4-chlorophenyl)-4,5-dihydro-1H-imidazol-3-ium-5-yl]-phenylmethanone Traditional Name: [(4S,5S)-2-amino-5-(4-chlorophenyl)-2-imidazolin-1-ium-4-yl]-phenyl-methanone Formula: C16H15ClN3O+ MolecularWeight: 300.7628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C([NH+]=C(N2)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H]([NH+]=C(N2)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O/c17-12-8-6-10(7-9-12)13-14(20-16(18)19-13)15(21)11-4-2-1-3-5-11/h1-9,13-14H,(H3,18,19,20)/p+1/t13-,14-/m0/s1