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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-(3-pyridylmethyl)thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-N-phenyl-3-(3-pyridinylmethyl)-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-pyridylmethyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C27H29N4O2S2+ MolecularWeight: 505.67476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CC4=CN=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CC4=CN=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S2/c32-35(33,30-17-6-1-2-7-18-30)25-14-12-23(13-15-25)26-21-34-27(29-24-10-4-3-5-11-24)31(26)20-22-9-8-16-28-19-22/h3-5,8-16,19,21H,1-2,6-7,17-18,20H2/p+1