4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-furylmethyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-(2-furanylmethyl)-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-furfuryl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C26H28N3O3S2+ MolecularWeight: 494.64882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CC4=CC=CO4)NC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CC4=CC=CO4)NC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3S2/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/h3-5,8-15,18,20H,1-2,6-7,16-17,19H2/p+1