[1-propylsulfonyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-propylsulfonyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-propylsulfonyl-1-(4-tetralin-6-yloxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-propylsulfonyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-propylsulfonyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-propylsulfonyl-1-(4-tetralin-6-yloxyphenyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C25H31N2O3S/c1-2-16-31(28,29)27(15-5-6-20(18-26)19-27)23-10-13-24(14-11-23)30-25-12-9-21-7-3-4-8-22(21)17-25/h5-6,9-14,17,19H,2-4,7-8,15-16,18,26H2,1H3/q+1