N-(4-ethoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-phenethyl-N-p-phenetyl-piperazin-4-ium-1-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-2-26-20-10-8-19(9-11-20)22-21(25)24-16-14-23(15-17-24)13-12-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,22,25)/p+1