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

Systemtic Name: [1-ethylsulfonyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-(4-tetralin-6-yloxyphenyl)-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-esyl-1-(4-tetralin-6-yloxyphenyl)-2H-pyridin-1-ium-6-yl]methylamine Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C24H29N2O3S/c1-2-30(27,28)26(16-6-5-9-22(26)18-25)21-11-14-23(15-12-21)29-24-13-10-19-7-3-4-8-20(19)17-24/h5-6,9-15,17H,2-4,7-8,16,18,25H2,1H3/q+1