[1-cyclopropylsulfonyl-1-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-cyclopropylsulfonyl-1-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

InChI

InChI=1S/C25H31N2O3S/c1-18(2)24-13-6-19(3)15-25(24)30-22-9-7-21(8-10-22)27(31(28,29)23-11-12-23)14-4-5-20(16-26)17-27/h4-10,13,15,17-18,23H,11-12,14,16,26H2,1-3H3/q+1