2-(cyclohexylsulfonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)nonanoic acid

Systemtic Name: 2-(cyclohexylsulfonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)nonanoic acid Openeye Name: 2-(cyclohexylsulfonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)nonanoic acid CAS Name: 2-(cyclohexylsulfonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)nonanoic acid IUPAC Name: 2-(cyclohexylsulfonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)nonanoic acid Traditional Name: 2-(cyclohexylsulfonylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)pelargonic acid Formula: C23H38N3O4S+ MolecularWeight: 452.63052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)S(=O)(=O)NC(CCCCCCCC2=NC3=C(CCC[NH2+]3)C=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)S(=O)(=O)NC(CCCCCCCC2=NC3=C(CCC[NH2+]3)C=C2)C(=O)O

InChI

InChI=1S/C23H37N3O4S/c27-23(28)21(26-31(29,30)20-12-6-4-7-13-20)14-8-3-1-2-5-11-19-16-15-18-10-9-17-24-22(18)25-19/h15-16,20-21,26H,1-14,17H2,(H,24,25)(H,27,28)/p+1