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

Systemtic Name: 1-(3-carbamimidoylsulfanylpropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Openeye Name: 1-(3-carbamimidoylsulfanylpropyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid CAS Name: 1-[3-(carbamimidoylthio)propyl]-2,3,3-trimethyl-5-indol-1-iumsulfonic acid IUPAC Name: 1-(3-carbamimidoylsulfanylpropyl)-2,3,3-trimethylindol-1-ium-5-sulfonic acid Traditional Name: 1-[3-(amidinothio)propyl]-2,3,3-trimethyl-indol-1-ium-5-sulfonic acid Formula: C15H22N3O3S2+ MolecularWeight: 356.48348

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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)CCCSC(=N)N

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)O)CCCSC(=N)N

InChI

InChI=1S/C15H21N3O3S2/c1-10-15(2,3)12-9-11(23(19,20)21)5-6-13(12)18(10)7-4-8-22-14(16)17/h5-6,9H,4,7-8H2,1-3H3,(H3-,16,17,19,20,21)/p+1