ethyl N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-2-31-24(30)26-20-10-6-9-19(15-20)23(29)28-13-11-27(12-14-28)16-21-17-32-22(25-21)18-7-4-3-5-8-18/h3-10,15,17H,2,11-14,16H2,1H3,(H,26,30)/p+1