2-ethyl-5-[ethyl(methyl)azaniumyl]-2-(6-methoxynaphthalen-2-yl)pentanoate

Systemtic Name: 2-ethyl-5-[ethyl(methyl)azaniumyl]-2-(6-methoxynaphthalen-2-yl)pentanoate Openeye Name: 2-ethyl-5-[ethyl(methyl)ammonio]-2-(6-methoxy-2-naphthyl)pentanoate CAS Name: 2-ethyl-5-[ethyl(methyl)ammonio]-2-(6-methoxy-2-naphthalenyl)pentanoate IUPAC Name: 2-ethyl-5-[ethyl(methyl)azaniumyl]-2-(6-methoxynaphthalen-2-yl)pentanoate Traditional Name: 2-ethyl-5-[ethyl(methyl)ammonio]-2-(6-methoxy-2-naphthyl)valerate Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC[NH+](C)CC)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CCC(CCC[NH+](C)CC)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C21H29NO3/c1-5-21(20(23)24,12-7-13-22(3)6-2)18-10-8-17-15-19(25-4)11-9-16(17)14-18/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,23,24)