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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)-N-phenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-(2-methoxyethyl)-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C24H30N3O3S2+ MolecularWeight: 472.6433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S2/c1-30-18-17-27-23(19-31-24(27)25-21-9-5-4-6-10-21)20-11-13-22(14-12-20)32(28,29)26-15-7-2-3-8-16-26/h4-6,9-14,19H,2-3,7-8,15-18H2,1H3/p+1