2-[4-(3-cyanophenyl)piperazin-4-ium-1-yl]ethyl N-(2-ethoxyphenyl)carbamate chloride

Systemtic Name: 2-[4-(3-cyanophenyl)piperazin-4-ium-1-yl]ethyl N-(2-ethoxyphenyl)carbamate chloride Openeye Name: 2-[4-(3-cyanophenyl)piperazin-4-ium-1-yl]ethyl N-(2-ethoxyphenyl)carbamate chloride CAS Name: N-(2-ethoxyphenyl)carbamic acid 2-[4-(3-cyanophenyl)-1-piperazin-4-iumyl]ethyl ester chloride IUPAC Name: 2-[4-(3-cyanophenyl)piperazin-4-ium-1-yl]ethyl N-(2-ethoxyphenyl)carbamate chloride Traditional Name: N-o-phenetylcarbamic acid 2-[4-(3-cyanophenyl)piperazin-4-ium-1-yl]ethyl ester chloride Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)OCCN2CC[NH+](CC2)C3=CC=CC(=C3)C#N.[Cl-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)OCCN2CC[NH+](CC2)C3=CC=CC(=C3)C#N.[Cl-]

InChI

InChI=1S/C22H26N4O3.ClH/c1-2-28-21-9-4-3-8-20(21)24-22(27)29-15-14-25-10-12-26(13-11-25)19-7-5-6-18(16-19)17-23;/h3-9,16H,2,10-15H2,1H3,(H,24,27);1H