N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]tetralin-6-sulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]tetralin-6-sulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCC3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCC3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C21H28N2O3S/c24-27(25,21-8-7-18-4-1-2-5-19(18)14-21)22-15-17-9-11-23(12-10-17)16-20-6-3-13-26-20/h3,6-8,13-14,17,22H,1-2,4-5,9-12,15-16H2/p+1