2-[2-methyl-3-(3-methylphenyl)sulfonyl-indol-1-yl]ethylazanium

Systemtic Name: 2-[2-methyl-3-(3-methylphenyl)sulfonyl-indol-1-yl]ethylazanium Openeye Name: 2-[2-methyl-3-(m-tolylsulfonyl)indol-1-yl]ethylammonium CAS Name: 2-[2-methyl-3-(3-methylphenyl)sulfonyl-1-indolyl]ethylammonium IUPAC Name: 2-[2-methyl-3-(3-methylphenyl)sulfonylindol-1-yl]ethylazanium Traditional Name: 2-[2-methyl-3-(m-tolylsulfonyl)indol-1-yl]ethylammonium Formula: C18H21N2O2S+ MolecularWeight: 329.43654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=C(N(C3=CC=CC=C32)CC[NH3+])C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=C(N(C3=CC=CC=C32)CC[NH3+])C

InChI

InChI=1S/C18H20N2O2S/c1-13-6-5-7-15(12-13)23(21,22)18-14(2)20(11-10-19)17-9-4-3-8-16(17)18/h3-9,12H,10-11,19H2,1-2H3/p+1