(3-azanylimidazol-1-ium-1-yl)-phenyl-methanone; (3,5-dimethylphenyl)methanesulfonate

Systemtic Name: (3-azanylimidazol-1-ium-1-yl)-phenyl-methanone; (3,5-dimethylphenyl)methanesulfonate Openeye Name: (3-aminoimidazol-1-ium-1-yl)-phenyl-methanone; (3,5-dimethylphenyl)methanesulfonate CAS Name: (3-amino-1-imidazol-1-iumyl)-phenylmethanone; (3,5-dimethylphenyl)methanesulfonate IUPAC Name: (3-aminoimidazol-1-ium-1-yl)-phenylmethanone; (3,5-dimethylphenyl)methanesulfonate Traditional Name: (3-aminoimidazol-1-ium-1-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=CN(C=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C10H10N3O.C9H12O3S/c11-13-7-6-12(8-13)10(14)9-4-2-1-3-5-9;1-7-3-8(2)5-9(4-7)6-13(10,11)12/h1-8H,11H2;3-5H,6H2,1-2H3,(H,10,11,12)/q+1;/p-1