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

Systemtic Name: N-(4-ethylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-ethylphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C21H28N3O+ MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-2-18-8-10-20(11-9-18)22-21(25)24-16-14-23(15-17-24)13-12-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,22,25)/p+1