(4-ethoxyphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-ethoxyphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-ethoxyphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethoxyphenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-ethoxyphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-p-phenetyl-methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-2-25-20-10-8-19(9-11-20)21(24)23-16-14-22(15-17-23)13-12-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3/p+1