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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2S2/c33-36(34,31-20-9-1-2-10-21-31)27-17-15-25(16-18-27)28-23-35-29(30-26-13-7-4-8-14-26)32(28)22-19-24-11-5-3-6-12-24/h3-8,11-18,23H,1-2,9-10,19-22H2/p+1