N-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-1-(1-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-1-(1-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(1-naphthylmethyl)piperazin-1-ium-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O3/c1-32-22-11-9-19(10-12-22)13-14-27-25(30)17-24-26(31)28-15-16-29(24)18-21-7-4-6-20-5-2-3-8-23(20)21/h2-12,24H,13-18H2,1H3,(H,27,30)(H,28,31)/p+1/t24-/m1/s1