ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-2-28-21(27)23-19-8-6-17(7-9-19)20(26)25-12-10-24(11-13-25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,23,27)/p+1