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1-(3-azanylpropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide

1-(3-azanylpropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide

Systemtic Name:1-(3-azanylpropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide
Openeye Name:1-(3-aminopropyl)-2,3,3-trimethyl-indoline-5-sulfonic acid bromide
CAS Name:1-(3-aminopropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide
IUPAC Name:1-(3-aminopropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid bromide
Traditional Name:1-(3-aminopropyl)-2,3,3-trimethyl-indoline-5-sulfonic acid bromide
Formula: C14H22BrN2O3S-
MolecularWeight: 378.30508
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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CCCN)C=CC(=C2)S(=O)(=O)O)(C)C.[Br-]


Isomeric SMILES

CC1C(C2=C(N1CCCN)C=CC(=C2)S(=O)(=O)O)(C)C.[Br-]


InChI

InChI=1S/C14H22N2O3S.BrH/c1-10-14(2,3)12-9-11(20(17,18)19)5-6-13(12)16(10)8-4-7-15;/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,17,18,19);1H/p-1


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