5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepin-1-ium

Systemtic Name: 5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepin-1-ium Openeye Name: 5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepin-1-ium CAS Name: 5,7-dimethyl-6-(phenylthio)-2,3-dihydro-1H-1,4-diazepin-1-ium IUPAC Name: 5,7-dimethyl-6-phenylsulfanyl-2,3-dihydro-1H-1,4-diazepin-1-ium Traditional Name: 5,7-dimethyl-6-(phenylthio)-2,3-dihydro-1H-1,4-diazepin-1-ium Formula: C13H17N2S+ MolecularWeight: 233.35248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NCC[NH2+]1)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NCC[NH2+]1)C)SC2=CC=CC=C2

InChI

InChI=1S/C13H16N2S/c1-10-13(11(2)15-9-8-14-10)16-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3/p+1