N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: N-(4-ethoxyphenyl)-3-isobutyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-isobutyl-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-p-phenetyl-amine Formula: C25H32N3O3S2+ MolecularWeight: 486.66988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CC(C)C

InChI

InChI=1S/C25H31N3O3S2/c1-4-31-22-11-9-21(10-12-22)26-25-28(17-19(2)3)24(18-32-25)20-7-13-23(14-8-20)33(29,30)27-15-5-6-16-27/h7-14,18-19H,4-6,15-17H2,1-3H3/p+1