2-methyl-4-[5-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]thiophen-2-yl]-1,3-thiazole

Systemtic Name: 2-methyl-4-[5-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]thiophen-2-yl]-1,3-thiazole Openeye Name: 2-methyl-4-[5-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2-thienyl]thiazole CAS Name: 2-methyl-4-[5-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2-thiophenyl]thiazole IUPAC Name: 2-methyl-4-[5-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]thiophen-2-yl]-1,3-thiazole Traditional Name: 2-methyl-4-[5-[(4-phenethyl-1,4-diazepan-4-ium-1-yl)sulfonyl]-2-thienyl]thiazole Formula: C21H26N3O2S3+ MolecularWeight: 448.64504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S3/c1-17-22-19(16-27-17)20-8-9-21(28-20)29(25,26)24-12-5-11-23(14-15-24)13-10-18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15H2,1H3/p+1