(4-methylphenyl)sulfonyl-[2-[(quinolin-1-ium-3-ylamino)methyl]phenyl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[2-[(quinolin-1-ium-3-ylamino)methyl]phenyl]azanide Openeye Name: p-tolylsulfonyl-[2-[(quinolin-1-ium-3-ylamino)methyl]phenyl]azanide CAS Name: (4-methylphenyl)sulfonyl-[2-[(3-quinolin-1-iumylamino)methyl]phenyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[2-[(quinolin-1-ium-3-ylamino)methyl]phenyl]azanide Traditional Name: [2-[(quinolin-1-ium-3-ylamino)methyl]phenyl]-tosyl-azanide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=CC=CC=C2CNC3=CC4=CC=CC=C4[NH+]=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=CC=CC=C2CNC3=CC4=CC=CC=C4[NH+]=C3

InChI

InChI=1S/C23H20N3O2S/c1-17-10-12-21(13-11-17)29(27,28)26-23-9-5-3-7-19(23)15-24-20-14-18-6-2-4-8-22(18)25-16-20/h2-14,16,24H,15H2,1H3/q-1/p+1