6-(4-chlorophenyl)sulfanyl-5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 6-(4-chlorophenyl)sulfanyl-5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 6-[(4-chlorophenyl)thio]-5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 6-(4-chlorophenyl)sulfanyl-5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 6-[(4-chlorophenyl)thio]-5,7-dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C13H16ClN2S+ MolecularWeight: 267.79754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]CCN1)C)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C(=[NH+]CCN1)C)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN2S/c1-9-13(10(2)16-8-7-15-9)17-12-5-3-11(14)4-6-12/h3-6,15H,7-8H2,1-2H3/p+1