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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxypropyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxypropyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-(3-methoxypropyl)-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxypropyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxypropyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C25H32N3O3S2+ MolecularWeight: 486.66988

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC4=CC=CC=C4

Isomeric SMILES

COCCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S2/c1-31-19-9-18-28-24(20-32-25(28)26-22-10-5-4-6-11-22)21-12-14-23(15-13-21)33(29,30)27-16-7-2-3-8-17-27/h4-6,10-15,20H,2-3,7-9,16-19H2,1H3/p+1