ethyl 4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-carboxylate CAS Name: 4-(1-phenethyl-4-piperidin-1-iumyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O2/c1-2-25-20(24)23-16-14-22(15-17-23)19-9-12-21(13-10-19)11-8-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3/p+2