methyl N-[3-(3-methoxypropyl)-4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-5-yl]carbamate

Systemtic Name: methyl N-[3-(3-methoxypropyl)-4-phenyl-2-phenylazanyl-1,3-thiazol-3-ium-5-yl]carbamate Openeye Name: methyl N-[2-anilino-3-(3-methoxypropyl)-4-phenyl-thiazol-3-ium-5-yl]carbamate CAS Name: N-[2-anilino-3-(3-methoxypropyl)-4-phenyl-5-thiazol-3-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-anilino-3-(3-methoxypropyl)-4-phenyl-1,3-thiazol-3-ium-5-yl]carbamate Traditional Name: N-[2-anilino-3-(3-methoxypropyl)-4-phenyl-thiazol-3-ium-5-yl]carbamic acid methyl ester Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[N+]1=C(SC(=C1C2=CC=CC=C2)NC(=O)OC)NC3=CC=CC=C3

Isomeric SMILES

COCCC[N+]1=C(SC(=C1C2=CC=CC=C2)NC(=O)OC)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-26-15-9-14-24-18(16-10-5-3-6-11-16)19(23-21(25)27-2)28-20(24)22-17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,23,25)/p+1