N,N-diethyl-4-[3-(3-methoxypropyl)-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[3-(3-methoxypropyl)-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: 4-[2-anilino-3-(3-methoxypropyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-(3-methoxypropyl)-4-thiazol-3-iumyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-anilino-3-(3-methoxypropyl)-1,3-thiazol-3-ium-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-anilino-3-(3-methoxypropyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H30N3O3S2+ MolecularWeight: 460.6326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCCOC)NC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCCOC)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S2/c1-4-25(5-2)31(27,28)21-14-12-19(13-15-21)22-18-30-23(26(22)16-9-17-29-3)24-20-10-7-6-8-11-20/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3/p+1