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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]-N-phenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-(p-tolylmethyl)thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]-N-phenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]-N-phenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylbenzyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C29H32N3O2S2+ MolecularWeight: 518.71328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(SC=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2S2/c1-23-11-13-24(14-12-23)21-32-28(22-35-29(32)30-26-9-5-4-6-10-26)25-15-17-27(18-16-25)36(33,34)31-19-7-2-3-8-20-31/h4-6,9-18,22H,2-3,7-8,19-21H2,1H3/p+1