5-(3-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one

Systemtic Name: 5-(3-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one Openeye Name: 5-(m-tolyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one CAS Name: 5-(3-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one IUPAC Name: 5-(3-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one Traditional Name: 5-(m-tolyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-4-ium-2-one Formula: C14H13N2OS+ MolecularWeight: 257.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C3C=CSC3=NC(=O)C[NH2+]2

Isomeric SMILES

CC1=CC=CC(=C1)C2=C3C=CSC3=NC(=O)C[NH2+]2

InChI

InChI=1S/C14H12N2OS/c1-9-3-2-4-10(7-9)13-11-5-6-18-14(11)16-12(17)8-15-13/h2-7,15H,8H2,1H3/p+1