ethyl N-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H23N3O3S/c1-2-25-19(24)20-16-6-3-5-15(13-16)18(23)22-10-8-21(9-11-22)14-17-7-4-12-26-17/h3-7,12-13H,2,8-11,14H2,1H3,(H,20,24)/p+1