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

Systemtic Name: ethyl N-[3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(3-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=CSC=C3

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

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