4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzenesulfonamide

Systemtic Name: 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzenesulfonamide Openeye Name: 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzenesulfonamide CAS Name: 4-(1-spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]ylamino)benzenesulfonamide IUPAC Name: 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzenesulfonamide Traditional Name: 4-(spiro[4H-isoquinolin-2-ium-3,1'-cyclohexane]-1-ylamino)benzenesulfonamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C(=[NH+]2)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C(=[NH+]2)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H23N3O2S/c21-26(24,25)17-10-8-16(9-11-17)22-19-18-7-3-2-6-15(18)14-20(23-19)12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-14H2,(H,22,23)(H2,21,24,25)/p+1