N-[2-(4-methoxyphenoxy)ethyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(4-methoxyphenoxy)ethyl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[2-(4-methoxyphenoxy)ethyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCNC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCNC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-26-19-7-9-20(10-8-19)27-16-11-22-21(25)24-14-12-23(13-15-24)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)/p+1