4-[4-(azepan-1-ylsulfonyl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-[[(2R)-2-oxolanyl]methyl]-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiazol-3-ium-2-yl]-phenyl-amine Formula: C26H32N3O3S2+ MolecularWeight: 498.68058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CC4CCCO4)NC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3C[C@H]4CCCO4)NC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O3S2/c30-34(31,28-16-6-1-2-7-17-28)24-14-12-21(13-15-24)25-20-33-26(27-22-9-4-3-5-10-22)29(25)19-23-11-8-18-32-23/h3-5,9-10,12-15,20,23H,1-2,6-8,11,16-19H2/p+1/t23-/m1/s1