4-[5-(11-azanylundecylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[5-(11-azanylundecylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid Openeye Name: 4-[5-(11-aminoundecylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid CAS Name: 4-[5-[(11-aminoundecylamino)-oxomethyl]-2,3,3-trimethyl-1-indol-1-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[5-(11-aminoundecylcarbamoyl)-2,3,3-trimethylindol-1-ium-1-yl]butane-1-sulfonic acid Traditional Name: 4-[5-(11-aminoundecylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid Formula: C27H46N3O4S+ MolecularWeight: 508.73684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O4S/c1-22-27(2,3)24-21-23(15-16-25(24)30(22)19-13-14-20-35(32,33)34)26(31)29-18-12-10-8-6-4-5-7-9-11-17-28/h15-16,21H,4-14,17-20,28H2,1-3H3,(H-,29,31,32,33,34)/p+1