N-(3-methoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-methoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(3-methoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-methoxyphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3-methoxyphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-25-19-9-5-8-18(16-19)21-20(24)23-14-12-22(13-15-23)11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H,21,24)/p+1