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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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