N-butyl-2-[4-[2-(4-chloranylnaphthalen-1-yl)oxyethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(4-chloranylnaphthalen-1-yl)oxyethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-[(4-chloro-1-naphthyl)oxy]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-[(4-chloro-1-naphthalenyl)oxy]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(4-chloronaphthalen-1-yl)oxyacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(4-chloro-1-naphthoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C3=CC=CC=C32)Cl

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C3=CC=CC=C32)Cl

InChI

InChI=1S/C22H28ClN3O3/c1-2-3-10-24-21(27)15-25-11-13-26(14-12-25)22(28)16-29-20-9-8-19(23)17-6-4-5-7-18(17)20/h4-9H,2-3,10-16H2,1H3,(H,24,27)/p+1