N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]tetralin-6-sulfonamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]tetralin-6-sulfonamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H28N2O2S/c25-27(26,22-12-11-20-5-1-2-6-21(20)15-22)23-16-18-7-9-19(10-8-18)17-24-13-3-4-14-24/h7-12,15,23H,1-6,13-14,16-17H2/p+1