1-(3-azanylpropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid bromide

Systemtic Name: 1-(3-azanylpropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid bromide Openeye Name: 1-(3-aminopropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid bromide CAS Name: 1-(3-aminopropyl)-2,3,3-trimethyl-5-indol-1-iumsulfonic acid bromide IUPAC Name: 1-(3-aminopropyl)-2,3,3-trimethylindol-1-ium-5-sulfonic acid bromide Traditional Name: 1-(3-aminopropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid bromide Formula: C14H21BrN2O3S MolecularWeight: 377.29714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCCN.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCCN.[Br-]

InChI

InChI=1S/C14H20N2O3S.BrH/c1-10-14(2,3)12-9-11(20(17,18)19)5-6-13(12)16(10)8-4-7-15;/h5-6,9H,4,7-8,15H2,1-3H3;1H