4-(6-methanoyl-2-methyl-3H-indol-1-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(6-methanoyl-2-methyl-3H-indol-1-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(6-formyl-2-methyl-3H-indol-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(6-formyl-2-methyl-3H-indol-1-ium-1-yl)-1-butanesulfonic acid IUPAC Name: 4-(6-formyl-2-methyl-3H-indol-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(6-formyl-2-methyl-3H-indol-1-ium-1-yl)butane-1-sulfonic acid Formula: C14H18NO4S+ MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1)C=CC(=C2)C=O)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1)C=CC(=C2)C=O)CCCCS(=O)(=O)O

InChI

InChI=1S/C14H17NO4S/c1-11-8-13-5-4-12(10-16)9-14(13)15(11)6-2-3-7-20(17,18)19/h4-5,9-10H,2-3,6-8H2,1H3/p+1