2-[2-azanyl-4,5-dimethyl-3-(phenylsulfonyl)pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-azanyl-4,5-dimethyl-3-(phenylsulfonyl)pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-amino-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-amino-3-(benzenesulfonyl)-4,5-dimethyl-1-pyrrolyl]ethyl-dimethylammonium IUPAC Name: 2-[2-amino-3-(benzenesulfonyl)-4,5-dimethylpyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-(2-amino-3-besyl-4,5-dimethyl-pyrrol-1-yl)ethyl-dimethyl-ammonium Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CC[NH+](C)C)C

InChI

InChI=1S/C16H23N3O2S/c1-12-13(2)19(11-10-18(3)4)16(17)15(12)22(20,21)14-8-6-5-7-9-14/h5-9H,10-11,17H2,1-4H3/p+1