ethyl 4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-benzyl-4-ethyl-piperazin-4-ium-1-carboxylate chloride CAS Name: 4-ethyl-4-(phenylmethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-benzyl-4-ethylpiperazin-4-ium-1-carboxylate chloride Traditional Name: 4-benzyl-4-ethyl-piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C16H25ClN2O2 MolecularWeight: 312.8349

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(=O)OCC)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(=O)OCC)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H25N2O2.ClH/c1-3-18(14-15-8-6-5-7-9-15)12-10-17(11-13-18)16(19)20-4-2;/h5-9H,3-4,10-14H2,1-2H3;1H/q+1;/p-1