(2-azanyl-1H-imidazol-3-ium-3-yl)-phenyl-methanone; (3,5-dimethylphenyl)methanesulfonate

Systemtic Name: (2-azanyl-1H-imidazol-3-ium-3-yl)-phenyl-methanone; (3,5-dimethylphenyl)methanesulfonate Openeye Name: (2-amino-1H-imidazol-3-ium-3-yl)-phenyl-methanone; (3,5-dimethylphenyl)methanesulfonate CAS Name: (2-amino-1H-imidazol-3-ium-3-yl)-phenylmethanone; (3,5-dimethylphenyl)methanesulfonate IUPAC Name: (2-amino-1H-imidazol-3-ium-3-yl)-phenylmethanone; (3,5-dimethylphenyl)methanesulfonate Traditional Name: (2-amino-1H-imidazol-3-ium-3-yl)-phenyl-methanone; (3,5-dimethylphenyl)methanesulfonate Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=CC=C(C=C1)C(=O)[N+]2=C(NC=C2)N

Isomeric SMILES

CC1=CC(=CC(=C1)CS(=O)(=O)[O-])C.C1=CC=C(C=C1)C(=O)[N+]2=C(NC=C2)N

InChI

InChI=1S/C10H9N3O.C9H12O3S/c11-10-12-6-7-13(10)9(14)8-4-2-1-3-5-8;1-7-3-8(2)5-9(4-7)6-13(10,11)12/h1-7H,(H2,11,12);3-5H,6H2,1-2H3,(H,10,11,12)